SMILES:
CC(=O)SC1CN(C2=[SH]CCN2)C1Molecular Processing
Molecular formula
C8H14N2OS2
Molecular weight
218.35
Exact mass
218.0548
XLogP
0.11
TPSA
32.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
60.5
Supplementary Information
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