methylbenzene; 1-(4-methylphenyl)-2-sulfanyl-ethanone

Systemtic Name: methylbenzene; 1-(4-methylphenyl)-2-sulfanyl-ethanone Openeye Name: 1-(p-tolyl)-2-sulfanyl-ethanone; toluene CAS Name: 2-mercapto-1-(4-methylphenyl)ethanone; toluene IUPAC Name: 1-(4-methylphenyl)-2-sulfanylethanone; toluene Traditional Name: 2-mercapto-1-(p-tolyl)ethanone; toluene Formula: C16H18OS MolecularWeight: 258.37852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=C(C=C1)C(=O)CS

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=C(C=C1)C(=O)CS

InChI

InChI=1S/C9H10OS.C7H8/c1-7-2-4-8(5-3-7)9(10)6-11;1-7-5-3-2-4-6-7/h2-5,11H,6H2,1H3;2-6H,1H3