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· · COA & SDS available for every product · Same-day shipping on in-stock items 6-methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole , CAS No.309735-05-5
Synonyms
ABC-1 | 5-methoxy-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole | 6-methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole | 6-methoxy-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole | Oprea1_077516 | HRUYBRGMRSNLNW-UHFFFAOYSA-N | EX-A5366 | BDBM503805
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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 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
ABC-1 | 5-methoxy-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole | 6-methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole | 6-methoxy-2-[(4-methylbenzyl)sulfanyl]-1H-benzimidazole | Oprea1_077516 | HRUYBRGMRSNLNW-UHFFFAOYSA-N | EX-A5366 | BDBM503805
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)OC IUPAC Name 6-methoxy-2-[(4-methylphenyl)methylsulfanyl]-1H-benzimidazole InChIKey HRUYBRGMRSNLNW-UHFFFAOYSA-N INCHI 1S/C16H16N2OS/c1-11-3-5-12(6-4-11)10-20-16-17-14-8-7-13(19-2)9-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18) Isomeric SMILES CC1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)OC PubChem CID 702869 Molecular Weight 284.4
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 Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents Anisoles Toluenes Alkylarylthioethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - Aryl thioether - Anisole - Alkyl aryl ether - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Azacycle - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). 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 284.400 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 284.098 Da Monoisotopic Mass 284.098 Da Topological Polar Surface Area 63.200 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 307.000 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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