CC1=CC=CC=C1CS
CAS: 7341-24-4
Name: (2-methylphenyl)methanethiol
SMILES: CC1=CC=CC=C1CS

Molecular Processing

Molecular formula
C8H10S
Molecular weight
138.24
Exact mass
138.0503
XLogP
2.42
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
43.87

Supplementary Information

InChIKey: PJUDFYDAJBQPEA-UHFFFAOYSA-N
Synonyme
(2-methylphenyl)methanethiolDTXSID60302072RefChem:396132DTXCID50253206817-684-97341-24-42-Methylbenzyl mercaptan2-Methylbenzylmercaptano-tolylmethanethiolMFCD000220742-Methylbenzenemethanethiolo-tolyl-methanethiolNSC148323SCHEMBL842314SCHEMBL1145392SCHEMBL6862946SCHEMBL7472894SCHEMBL29577000(2-methylphenyl)methane-1-thiolPJUDFYDAJBQPEA-UHFFFAOYSA-NHAA34124SBB086035AKOS000199988AT13699NSC 148323NSC-148323AS-58313DB-055761EN300-21106F862558
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