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· · COA & SDS available for every product · Same-day shipping on in-stock items Thiobenzamide - ≥98% , CAS No.2227-79-4
Synonyms
benzene-1-carbothioamide | EINECS 218-765-6 | J-014622 | AS-15711 | AKOS000119942 | Thiobenzamide, 98% | BDBM50499815 | Benzothiamide | CHEBI:80418 | Benzenecarbothioamide | AO-840/40187641 | FT-0634151 | Tiobenzamide | Q27149460 | Benzamide, thio- | T019
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Why this grade ≥98% 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
benzene-1-carbothioamide | EINECS 218-765-6 | J-014622 | AS-15711 | AKOS000119942 | Thiobenzamide, 98% | BDBM50499815 | Benzothiamide | CHEBI:80418 | Benzenecarbothioamide | AO-840/40187641 | FT-0634151 | Tiobenzamide | Q27149460 | Benzamide, thio- | T019
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504759847 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759847 Canonical Smiles C1=CC=C(C=C1)C(=S)N IUPAC Name benzenecarbothioamide InChIKey QIOZLISABUUKJY-UHFFFAOYSA-N INCHI 1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) Isomeric SMILES C1=CC=C(C=C1)C(=S)N WGK Germany 3 RTECS CV5860000 PubChem CID 683563 UN Number 2811 Molecular Weight 137.2 Beilstein 606021 Reaxy-Rn 606021
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 Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Monocyclic benzene moiety - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. External Descriptors benzenes 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 Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Slightly soluble in water. Melt Point(°C) 113-117°C Molecular Weight 137.200 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 137.03 Da Monoisotopic Mass 137.03 Da Topological Polar Surface Area 58.100 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 105.000 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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