SMILES:
O=C(O)CCc1cccs1Molecular Processing
Molecular formula
C7H8O2S
Molecular weight
156.21
Exact mass
156.0245
XLogP
1.77
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
10
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
0.286
Molar refractivity
40.28
Supplementary Information
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