SMILES:
OCCSSc1ccccn1Molecular Processing
Molecular formula
C7H9NOS2
Molecular weight
187.29
Exact mass
187.0126
XLogP
1.81
TPSA
33.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
49.64
Supplementary Information
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