CC1=CC(=CC=C1)S
CAS: 108-40-7
Name: 3-methylbenzenethiol
SMILES: CC1=CC(=CC=C1)S

Molecular Processing

Molecular formula
C7H8S
Molecular weight
124.21
Exact mass
124.0347
XLogP
2.28
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
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
0.143
Molar refractivity
38.43

Supplementary Information

InChIKey: WRXOZRLZDJAYDR-UHFFFAOYSA-N
Synonyme
3-Methylbenzenethiolm-Thiocresol108-40-73-Methylthiophenolm-Toluenethiol3-THIOCRESOLBenzenethiol, 3-methyl-m-Methylbenzenethiolm-Mercaptotoluenem-Methylthiophenol3-Mercaptotoluenem-TolylmercaptanToluene-3-thiolm-Tolyl Mercaptanm-tolylthiolToluene, 3-mercapto-USAF EK-2680NSC 81219HSDB 2023EINECS 203-578-4BRN 18519590TK859NX9SNSC-81219M-THIOCRESOL [MI]3-THIOCRESOL [HSDB](3-METHYLPHENYL)THIOL3-METHYLPHENYL MERCAPTANDTXSID1059361mThiocresolmToluenethiol
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