AC1MHFJ9 structure

AC1MHFJ9

S-phenyl 3-(1-phenylethyl)imidazole-4-carbothioate;hydrochloride

Also Known As: 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-|4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (+-)-|(+)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride|(+-)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride|(-)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride|4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (+)-|S-phenyl 3-(1-phenylethyl)imidazole-4-carbothioate hydrochloride|S-Phenyl 1-(1-phenylethyl)-1H-imidazole-5-carbothioate--hydrogen chloride (1/1)|1H-Imidazole-5-carbothioic acid, 1-(1-phenylethyl)-, S-phenyl ester, monohydrochloride, ()-|1H-Imidazole-5-carbothioic acid, 1-(1-phenylethyl)-, S-phenyl ester, monohydrochloride, (-)-|1H-Imidazole-5-carbothioic acid, 1-(1-phenylethyl)-, S-phenyl ester, monohydrochloride, (.+.)-

CAS: 66641-87-0
Molecular Formula C18H17ClN2OS
Molecular Weight 344.075 g/mol
LogP 4.8467
Topological Polar Surface Area 34.89 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 344.075
Monoisotopic Mass 344.075
Heavy Atoms 23
Complexity 758.96234

Chemical Identifiers

CAS Number 66641-87-0
SMILES CC(C1=CC=CC=C1)N2C=NC=C2C(=O)SC3=CC=CC=C3.Cl

Product Overview

AC1MHFJ9 (CAS 66641-87-0), with molecular formula C18H17ClN2OS and molecular weight 344.075 g/mol. IUPAC: S-phenyl 3-(1-phenylethyl)imidazole-4-carbothioate;hydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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