SMILES:
CC(=O)SC1CSC(CN=[N+]=[N-])C1Molecular Processing
Molecular formula
C7H11N3OS2
Molecular weight
217.32
Exact mass
217.0344
XLogP
2.45
TPSA
65.83
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
56.94
Supplementary Information
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