SMILES:
CCC(=O)N1CCSC1=SMolecular Processing
Molecular formula
C6H9NOS2
Molecular weight
175.28
Exact mass
175.0126
XLogP
1.26
TPSA
20.31
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
47.06
Supplementary Information
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