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2-(Methylthio)Benzonitrile

    • Product Name 2-(Methylthio)Benzonitrile
    • Alias O-(Methylthio)benzonitrile
    • Einecs 253-861-5
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
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    Specifications

    HS Code

    998696

    Chemical Name 2-(Methylthio)benzonitrile
    Cas Number 18368-58-8
    Molecular Formula C8H7NS
    Molar Mass 149.21 g/mol
    Appearance Light yellow to brown liquid
    Boiling Point 273-274 °C
    Density 1.18 g/cm³
    Refractive Index 1.599
    Smiles CC1=CC=CC=C1C#N
    Inchi InChI=1S/C8H7NS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3
    Flash Point 122 °C
    Solubility Slightly soluble in water

    As an accredited 2-(Methylthio)Benzonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing The chemical, 2-(Methylthio)Benzonitrile, is packaged in a 25-gram amber glass bottle with a tightly sealed screw cap.
    Shipping 2-(Methylthio)Benzonitrile should be shipped in tightly sealed containers under ambient conditions. Protect from moisture, heat, and direct sunlight. Transport according to local and international chemical shipping regulations. Use appropriate labeling to indicate chemical identity and any hazards. Ensure compliance with safety data sheet (SDS) guidelines for handling and transport.
    Storage 2-(Methylthio)benzonitrile should be stored in a tightly closed container, in a cool, dry, and well-ventilated area, away from sources of ignition, heat, and incompatible substances such as strong oxidizers. Keep out of direct sunlight, and avoid moisture exposure. Proper labeling and secure storage are essential to prevent accidental spills or misuse. Follow all relevant safety and regulatory guidelines.
    Application of 2-(Methylthio)Benzonitrile

    Applications of 2-(Methylthio)Benzonitrile in Industrial Manufacturing

    2-(Methylthio)Benzonitrile is a specialty chemical intermediate used in advanced fine chemical and pharmaceutical syntheses. Our facility supports global downstream partners in regulated industries with reliable and high-purity supply, ensuring integration into complex value chains. We outline several established market applications below, along with industry specifications, process guidance, and ultimate finished goods.

    1. Key Intermediate in AgChem Active Ingredient Synthesis

    Major agrochemical manufacturers use 2-(Methylthio)Benzonitrile to produce selective herbicide actives and insecticide precursors. The compound enters core heterocyclic synthesis, often by nucleophilic aromatic substitution, forming the sulfur bridge in target molecules. The material’s traceability and consistent quality are critical for regulatory dossier approval in final crop protection products.

    Industry compliance standards

    • FAO/WHO specifications for pesticide technical intermediates
    • EU Regulation (EC) No 1107/2009 for plant protection products
    • REACH registration (EC No. 1907/2006) for raw material handling
    • ISO 9001:2015 certified manufacturing

    Typical usage ratio

    • Reactants typically use 2-(Methylthio)Benzonitrile at 0.8–1.2 molar equivalents per batch, adjusted based on target active ingredient yield and impurity control

    Downstream process integration

    • Added to sealed reactors at the condensation stage; process engineers monitor reaction completeness with in-line HPLC
    • Feeds into subsequent ring formation or oxidation steps, according to target molecule recipe

    Final product types

    • Technical grade and formulated herbicides (e.g., sulfonylureas, thiadiazoles)
    • Active ingredient concentrates supplied to crop science companies

    2. Active Pharmaceutical Ingredient (API) Intermediate

    Select pharmaceutical producers utilize this intermediate to manufacture benzothiazole-based APIs with antitumor and neuroprotective activity. It participates in cyclization and sulfonation reactions, building the bioactive core under strict GMP guidelines. End-users demand full batch documentation and impurity profiling to support regulatory filing in the EU, USA, and Asia.

    Industry compliance standards

    • ICH Q7: GMP for Active Pharmaceutical Ingredients
    • USP-NF (United States Pharmacopeia – National Formulary)
    • EDQM CEP (European Directorate for the Quality of Medicines) requirements
    • Certificate of Suitability (COS) documentation

    Typical usage ratio

    • In pharmaceutical synthesis, applied at 0.95–1.1 stoichiometric ratio relative to the ring-closing agent; exact proportion based on the desired API lot size

    Downstream process integration

    • Charged to multistep GMP reaction suites equipped with validated containment
    • Processed prior to salt formation or crystalline purification stages; impurity control tracked throughout

    Final product types

    • Raw material for antitumor drug APIs (e.g., benzothiazole derivatives)
    • Neuroprotective and anti-inflammatory pharmaceutical active substances

    3. Building Block for Custom Dye Intermediates

    Colorant manufacturers incorporate 2-(Methylthio)Benzonitrile to synthesize thioether-containing dye chromophores. The material’s role includes introducing ancillary sulfur atoms into aromatic dye frameworks via chlorination and coupling. Batch supply aligns with EU REACH and textile eco-compliance programs, targeting high-value technical fiber coloration.

    Industry compliance standards

    • REACH (EU Regulation 1907/2006) chemical registration and notification
    • OEKO-TEX Standard 100 (textile chemical safety)
    • GHS/CLP labelling for dye intermediate transport
    • ZDHC (Zero Discharge of Hazardous Chemicals) Manufacturing Restricted Substances List

    Typical usage ratio

    • Standard formulation includes 0.6–1.3 parts per part chromophore backbone, rate determined by desired shade intensity and process conversion efficiency

    Downstream process integration

    • Introduced during the aromatic substitution or coupling step in bulk dye synthesis
    • Stepwise purification follows, targeting >98% purity in dye intermediates

    Final product types

    • Disperse dyes for polyester technical textiles
    • Azo and sulfur-based dyes for nonwoven automotives and coatings

    4. Intermediate for Electronic Chemical Materials

    Advanced electronics manufacturers utilize this compound as a precursor in synthesizing high-reliability sulfur-containing aromatic building blocks. These specialty monomers support development of organic semiconductors, OLED materials, and photo-initiators with precise performance requirements for circuit assembly and optoelectronic devices.

    Industry compliance standards

    • IPC-4101D: Base Materials for Printed Boards
    • IEC 62474: Material declaration for electronic components
    • RoHS directive (2011/65/EU) compliance for electronics
    • ISO 14001:2015 Environmental Management

    Typical usage ratio

    • Used at 1.0–1.5 molar equivalents per aromatic monomer or end-use batch, depending on the polymer backbone assembly pathway

    Downstream process integration

    • Processed in anhydrous condensation or oxidation steps, combined with other functionalized benzonitriles in controlled reactors
    • Downstream purification yields 99.5%+ purity electronic-grade intermediates

    Final product types

    • Photoactive monomers for liquid crystal displays (LCDs)
    • Specialty resins for semiconductor encapsulation and microelectronic circuits

    5. Precursor for Scent and Flavor Intermediate Production

    Fragrance and flavor producers convert this nitrile into sulfurous aromatic intermediates via catalytic transformation. The resulting building blocks support production of artificial musks and high-tonnage flavorants for complex formulated consumer products. Material purity, traceability, and compliance with food-grade and allergen labeling drive procurement requirements.

    Industry compliance standards

    • IFRA (International Fragrance Association) Guidelines
    • FEMA GRAS (Flavor and Extract Manufacturers Association) standards
    • EU Regulation (EC) No 1334/2008 for flavorings
    • ISO 22000 Food Safety Management

    Typical usage ratio

    • Applied at 0.85–1.1 equivalents within thiolation or reduction steps, batch size adjusted by targeted olfactory intensity and customer formulation platform

    Downstream process integration

    • Feeds catalytic reduction or substitution units; process monitored for aromatic ring integrity and sulfur migration to final intermediate
    • Intermediate purification leads to sub-ppm contaminant levels for food and fragrance standards

    Final product types

    • Synthetic musk intermediates for perfumery
    • Flavorant bases used in confectionery, beverages, and dairy products
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    More Introduction

    2-(Methylthio)Benzonitrile: Manufacturing Expertise and Real-World Applications

    Our Story with 2-(Methylthio)Benzonitrile

    In the fine chemical landscape, experience tells us that not every molecule behaves the same way on the production floor. Over the years, 2-(Methylthio)Benzonitrile has earned a dedicated place in our line-up due to a simple reason: it doesn’t just fill a gap, it solves problems for project teams everywhere. Our operations team, led by chemists who have scaled up this compound from lab runs to multi-ton lots, has learned what makes this product stand out in performance and reliability, especially where consistency is essential.

    Technical Blueprint: A Thoughtful Approach to Purity and Quality

    We make 2-(Methylthio)Benzonitrile available predominantly with a purity in line with what medicinal and agrochemical intermediates demand. We keep a regular eye on batch integrity through gas chromatography and NMR, confirming that the methylthio and nitrile groups are right where our formulation chemists expect them. Trace impurities like sulfur-containing byproducts can complicate further synthesis steps, so we don’t cut corners. Watching these details preserves efficiency down the line—an overlooked contaminant at the early intermediate stage can derail days of work in a custom synthesis series.

    For researchers pushing at the frontiers of new pharmaceuticals, material sciences, and crop protection, the tiniest deviation in structure can scramble the results. Based on this, our team designed the drying and packaging routine to keep moisture and light out. Moisture, even in small amounts, creates hydrolysis or slows down nucleophilic substitution performance. While some partners can handle minor contaminants in bulk chemicals, the specifications for 2-(Methylthio)Benzonitrile usually leave little wiggle room, especially when it's part of an active synthesis pathway.

    An Inside Look: How We Manufacture 2-(Methylthio)Benzonitrile

    Scaling up a sulfur-containing aromatic is not the same as churning out simpler intermediates. Reactions involving thiol reagents sometimes throw curveballs during larger batch runs—a lesson we’ve internalized after countless troubleshooting sessions on the pilot line. Accurate temperature and pressure control do more than safeguard a single batch; these steps drive batch-to-batch consistency and avoid off-odors or discoloration, two typical red flags for this kind of molecule.

    Handling aromatic nitriles means maintaining a closed system, both for safety and for isolation efficiency—especially when recovering the final product. The presence of both methylthio and nitrile functionalities requires careful distillation, since side reactions can easily eat away at yield or create purification challenges. Some manufacturers shortcut through open-vessel workups or run stoppers, risking loss of valuable material. Our team relies on closed transfers and inert atmospheres, and we routinely follow up with thin-layer and column chromatography analysis to demonstrate that batch purity matches expectations.

    Why 2-(Methylthio)Benzonitrile Matters to Our Clients

    Development chemists continue to turn to this compound because it acts as an adaptable anchor for aryl modifications. Our customers use 2-(Methylthio)Benzonitrile to build more elaborate scaffolds, introduce reactivity, or modulate lipophilicity. It slots in where direct methylthiolation becomes too harsh or nitrile introduction from bromo aromatics brings side reactions. In real-world medicinal chemistry, this intermediate can support both Suzuki coupling partners and nucleophilic substitutions, depending on synthetic plans.

    We’ve watched teams accelerate their structure-activity relationship (SAR) work in pharmaceutical lead optimization by leveraging the versatility of this intermediate. The compound’s combination of aromatic, methylthio, and nitrile groups offers a solid starting point from which multiple chemical handles extend. The amount of chemistry we see built around this molecule proves its practical impact goes well beyond what a simple catalog number can tell you.

    Clear Differentiation: 2-(Methylthio)Benzonitrile Compared to Related Products

    In the process of choosing the right intermediate, especially in pharmaceuticals and advanced materials, subtle differences in functionality make all the difference. Over time, we’ve heard engineers debate whether to reach for 2-(Methylthio)Benzonitrile or rely on less decorated nitriles or other methylthio-substituted aromatics. What sets this molecule apart is the positional relationship of the methylthio to the nitrile group. The ortho effect in 2-(Methylthio)Benzonitrile means reactivity is not the same as in meta- or para-isomers. The nucleophilicity, aromatic stability, and even selectivity in coupling reactions respond differently compared to, say, 4-(methylthio)benzonitrile.

    This is far from theoretical: certain cyclizations or transition-metal catalyzed transformations only proceed cleanly when the substituent is ortho to the nitrile. Users working with substituted benzonitriles often report that yields and selectivity shift dramatically with even a single position change on the ring. This is particularly relevant in pharmaceuticals, where the three-dimensional arrangement in the active molecule calls for exact functional placement. The combination of the electron-withdrawing nitrile and the lipophilic methylthio drives tuning, especially in ligand design or preclinical candidate optimization.

    In our experience supplying both ortho and para methylthio-nitriles, the ortho version demonstrates a distinct physical and chemical profile—higher melting point, sometimes altered solubility, and different TLC mobility. Lab teams confirm this through multiple campaigns, and we see it echoed in the published literature. While the basic molecular weight and formula might not change, the behavior during alkylation, cross-coupling, or ring-building reactions certainly does.

    Specific Applications Paving the Way

    Those who work in heterocyclic scaffolding know that 2-(Methylthio)Benzonitrile enters the stage when direct thiolation or nitrilation stalls out or creates too many byproducts. Electrocyclizations, for example, get a boost in yield thanks to the unique push-pull electronic arrangement found here. Polymer chemists exploring aromatic backbones for conductivity also benefit, since this structure imparts stability against chemical degradation, resisting both hydrolysis and oxidative stress compared to less-substituted analogs.

    Agricultural researchers count on the distinct backbone of 2-(Methylthio)Benzonitrile for crop-protection molecule design. The methylthio group lets developers tweak hydrophobicity in their target molecules, offering better leaf surface adhesion and improved delivery. In custom synthesis, this stability means less breakdown—an important consideration as regulatory standards emphasize impurity profiles.

    We supplied this compound during several multi-year projects in the development of kinase inhibitors, and the medicinal chemistry teams reported cleaner routes and fewer process impurities compared to earlier benzonitrile derivatives. Each research team brings its own set of requirements, yet time and again we’ve noted that moving to 2-(Methylthio)Benzonitrile opens new possibilities—faster optimization rounds, a better handle on side reactions, and cleaner API crystallizations.

    Troubleshooting and Problem-Solving: Practical Advice from a Manufacturer’s Perspective

    The path to consistently reliable batches isn’t always smooth in the world of specialty benzonitriles. Looking back, our earliest pilot batches encountered issues with sulfur odor control and discoloration—two warning signs for thiol-based syntheses. Ensuring thorough inerting and a stepwise addition protocol resolved most of this, and current production lines haven’t experienced those same pitfalls. The time invested in refining purification steps paid off in lower rejection rates and less in-process adjustment, especially for lots headed to tightly regulated segments like pharmaceuticals.

    Sometimes, project labs ask us why their in-house scale attempts fail to match the outcomes we describe. Our response is simple: the production controls at scale separate good results from unpredictable ones. We routinely run proprietary monitoring during reaction progress, letting us stop for intermediate sampling. Ensuring solvent quality, regular instrument calibration, and routine validation of analytical methods saves time, resources, and stress for teams downstream.

    Another practical consideration involves storage and shelf-life. With both nitrile and methylthio groups, improper sealing or excessive humidity gradually degrades product reliability. Our experience suggests that desiccant use and opaque, chemical-resistant packaging extend shelf-life—methods refined after early years of less-than-ideal transport experiences. Reliable quality in the laboratory or plant ultimately begins with proper material handling from day one of synthesis.

    Industry Insight: What End-Users Really Value

    Direct conversations with researchers, from small startups to large-pharma process teams, reveal patterns in what they want from chemical suppliers. Prompt documentation, regular lot analysis results, and real turnaround in addressing out-of-spec issues create confidence. Transparent communication regarding changes in raw material source or updates to manufacturing procedures matters, especially during scale-up runs or validation campaigns.

    We learned from experience that the most valuable offering isn’t simply high-purity 2-(Methylthio)Benzonitrile; it’s predictability. The feedback cycle from researchers in both process chemistry and method development helps us refine protocols, spot minor trending changes, and keep failure rates low. We encourage questions about analytical results, method validation, and long-term stability, lending insight from our own bench troubleshooting.

    Behind the Scenes: Compliance and Quality Mindset

    Every kilogram of 2-(Methylthio)Benzonitrile passes through systems shaped by both internal expertise and market demands for transparency. Audits, whether unannounced or routine, point to the need for well-documented procedures, lot traceability, and robust sample retention. Our chemists run validation lots to demonstrate reproducibility, an effort that ensures both product confidence and easier regulatory submissions. Clean records and sample archives bolster claims to authorities, but more than that, they serve our long-term clients by building institutional memory that speeds troubleshooting and even supports patent filings.

    Supply chain disruptions sometimes force sourcing shifts or adjustments in process reagents. Rapid notification and the ability to provide side-by-side analysis of alternate material lots give our partners peace of mind as they transition between procurement cycles. In the past, a lack of timely communication from other suppliers left project teams scrambling; based on these shared frustrations, we prioritize visibility and proactive engagement during every project phase.

    Solutions and Forward Thinking in the World of Intermediates

    Market pressures squeeze margins for many fine chemicals, yet experience shows that quality delivers long-term payback. Costly troubleshooting or schedule slips during late-stage synthesis far outweigh modest differences in up-front formulation expenses. Our team remains committed to keeping the focus on batch consistency and low impurity profiles, even as cost optimization trends ripple through procurement groups. Investment in latest-generation analytical methodologies and continuous review of raw material streams reinforces every lot.

    Looking forward, our bench scientists aim to tune production for ever-stricter impurity thresholds—driven by new regulatory perspectives as well as next-generation pharmaceuticals with lower allowable side-product levels. Integration of advanced process control and automated spectroscopic monitoring stands on the horizon; these investments promise earlier problem signals and gentler batch corrections, reducing out-of-spec waste and enhancing confidence from research teams.

    Collaborative Chemistry: Building Tailored Solutions

    We’ve seen the most impactful research breakthroughs occur when manufacturers and users treat each stage of the supply-and-development pipeline as a partnership. Our role goes beyond just shipping product. Chemists on our staff routinely consult on reaction schemes, recommend storage solutions, and help troubleshoot purification snags. Direct access to technical support gives our clients the confidence to push their projects forward knowing that the supply chain won’t falter on reliability.

    Feedback loops with leading-edge pharmaceutical and agricultural development teams keep us alert to emerging trends and changing requirements. Our willingness to adopt evolving documentation or adapt specification windows answers the real demands of today’s R&D climate. Custom batch sizes, updated certificates of analysis, or even pilot-scale samples all flow out of these direct working relationships, ensuring research timelines move forward—not backward—because of access to the right chemical with known performance.

    A Perspective from the Factory Floor

    Day in and day out, workers across our synthesis lines know that each batch of 2-(Methylthio)Benzonitrile reaches customers building therapies, designing new materials, or advancing greener crop solutions. The reputation for reliability starts with every operator following exact weighing, maintaining clean workspace protocols, and verifying each drum before it leaves our hands. Routine team briefings, ongoing training, and cross-checking ensure pride and vigilance touch every lot.

    Ultimately, the story of 2-(Methylthio)Benzonitrile is a practical one—rooted in the discipline of skilled chemists, the patience of seasoned process engineers, and an ongoing conversation with real-world users. Chemical manufacturing, especially for advanced intermediates, rewards an approach centered on problem-solving, transparency, openness to feedback, and the promise that each drum or jar brings not just a substance, but a robust foundation for scientific advances.