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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-[4-(methylsulfanyl)phenyl]acetonitrile - ≥95% , CAS No.38746-92-8
Synonyms
4-(Methylthio)phenylacetonitrile | MFCD01310834 | J-523863 | FT-0676429 | FS-1555 | EN300-69548 | 2-(4-(methylthio)phenyl)acetonitrile | AKOS006345694 | SCHEMBL3272193 | W13500 | BBPATOFBGJZMJM-UHFFFAOYSA-N | DTXSID10375019 | Benzeneacetonitrile, 4-(methy
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-(Methylthio)phenylacetonitrile | MFCD01310834 | J-523863 | FT-0676429 | FS-1555 | EN300-69548 | 2-(4-(methylthio)phenyl)acetonitrile | AKOS006345694 | SCHEMBL3272193 | W13500 | BBPATOFBGJZMJM-UHFFFAOYSA-N | DTXSID10375019 | Benzeneacetonitrile, 4-(methy
Specifications & Purity
≥95%
Names and Identifiers Pubchem Sid 528756196 Canonical Smiles CSC1=CC=C(C=C1)CC#N IUPAC Name 2-(4-methylsulfanylphenyl)acetonitrile InChIKey BBPATOFBGJZMJM-UHFFFAOYSA-N INCHI 1S/C9H9NS/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3 Isomeric SMILES CSC1=CC=C(C=C1)CC#N PubChem CID 2760087 UN Number 3439 Packing Group III Molecular Weight 163.23
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzyl cyanides Intermediate Tree Nodes Not available Direct Parent Benzyl cyanides Alternative Parents Thiophenol ethers Alkylarylthioethers Sulfenyl compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzyl-cyanide - Aryl thioether - Thiophenol ether - Alkylarylthioether - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 42-43° C Molecular Weight 163.240 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 163.046 Da Monoisotopic Mass 163.046 Da Topological Polar Surface Area 49.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 150.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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