SMILES:
CCOC(=S)SCc1ccccn1Molecular Processing
Molecular formula
C9H11NOS2
Molecular weight
213.33
Exact mass
213.0282
XLogP
2.64
TPSA
22.12
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
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
0.333
Molar refractivity
59.76
Supplementary Information
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