Name: 3-methylbenzothiophene-2-sulfonic acid
SMILES:
Cc1c(S(=O)(=O)O)sc2ccccc12Molecular Processing
Molecular formula
C9H8O3S2
Molecular weight
228.29
Exact mass
227.9915
XLogP
2.46
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
56.38
Supplementary Information
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