Name: Thiolacetic acid
SMILES:
O=C(O)Cc1cccs1Molecular Processing
Molecular formula
C6H6O2S
Molecular weight
142.18
Exact mass
142.0089
XLogP
1.38
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
9
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
0.167
Molar refractivity
35.66
Supplementary Information
No supplementary data available
An 307 Reaktionen beteiligt→