Molecular Identity
Benzyl mercaptan
phenylmethanethiol
PubChem CID: 7509
Benzyl thiol is a thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group. It has a role as a plant metabolite. It is a member of benzenes and a thiol. It derives from a hydride of a toluene.
2D Structure
Properties
C7H8S
Molecular Formula
124.21
Molecular Weight
g/mol
124.0347
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
55
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CSIsomeric SMILES
SMILES: C1=CC=C(C=C1)CSSynonyms(20)
BENZYL MERCAPTANPhenylmethanethiolBenzenemethanethiolBenzylthiolThiobenzyl alcoholToluene-alpha-thiolBenzylhydrosulfideMethanethiol, phenyl-benzyl thiolalpha-Tolyl mercaptanphenyl-methanethiolToluene, alpha-mercapto-a-toluenethiolUSAF ex-1509.alpha.-Tolyl mercaptan
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Benzyl mercaptan
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