SMILES:
COC(=O)CC1SCCCS1Molecular Processing
Molecular formula
C7H12O2S2
Molecular weight
192.3
Exact mass
192.0279
XLogP
1.75
TPSA
26.3
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
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
0.857
Molar refractivity
49.95
Supplementary Information
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