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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-BENZYL-2-MERCAPTOIMIDAZOLE , CAS No.23269-10-5
Synonyms
1-benzyl-1H-imidazole-2-thiol|23269-10-5|3-benzyl-1H-imidazole-2-thione|CHEMBL164791|1-Benzyl-1,3-dihydro-2H-imidazole-2-thione|1-benzylimidazole-2-thiol|1-benzyl-imidazole-2-thiol|MLS001007908|SCHEMBL6348986|SCHEMBL11079680|DTXSID70349892|AOCFYLGZVCPZML-
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Why this grade 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
1-benzyl-1H-imidazole-2-thiol | 23269-10-5 | 3-benzyl-1H-imidazole-2-thione | CHEMBL164791 | 1-Benzyl-1, 3-dihydro-2H-imidazole-2-thione | 1-benzylimidazole-2-thiol | 1-benzyl-imidazole-2-thiol | MLS001007908 | SCHEMBL6348986 | SCHEMBL11079680 | DTXSID70349892 | AOCFYLGZVCPZML-
Names and Identifiers Canonical Smiles C1=CC=C(C=C1)CN2C=CNC2=S IUPAC Name 3-benzyl-1H-imidazole-2-thione InChIKey AOCFYLGZVCPZML-UHFFFAOYSA-N INCHI 1S/C10H10N2S/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,13) Isomeric SMILES C1=CC=C(C=C1)CN2C=CNC2=S Molecular Weight 190.269 Reaxy-Rn 142941 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142941&ln=
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 Organoheterocyclic compounds Class Azolines Subclass Imidazolines Intermediate Tree Nodes Not available Direct Parent Imidazolethiones Alternative Parents N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Thioureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzenoid - N-substituted imidazole - Imidazole-2-thione - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Thiourea - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as imidazolethiones. These are aromatic compounds containing an imidazole ring which bears a thioketone 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 190.270 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 190.056 Da Monoisotopic Mass 190.056 Da Topological Polar Surface Area 47.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 219.000 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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