CC1=C(C=C(C=C1)S)C(=O)O
CAS: 84889-58-7
Название: 2-methyl-5-sulfanylbenzoic acid
SMILES: CC1=C(C=C(C=C1)S)C(=O)O

Molecular Processing

Molecular formula
C8H8O2S
Molecular weight
168.22
Exact mass
168.0245
XLogP
1.98
TPSA
37.3
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.39

Supplementary Information

InChIKey: FJWXUOBINDAINN-UHFFFAOYSA-N
Синонимы
2-methyl-5-sulfanylbenzoic acid84889-58-75-mercapto-2-methyl-benzoic acidSCHEMBL459153-carboxy-4-methylthiophenol2-methyl-5-sulfanylbenzoicacidFJWXUOBINDAINN-UHFFFAOYSA-NMFCD20640266AKOS026732045EN300-131673
Источник →
Участвует в 4 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→