SMILES:
CSc1nc(N)c2c(C)c(C)sc2n1Molecular Processing
Molecular formula
C9H11N3S2
Molecular weight
225.34
Exact mass
225.0394
XLogP
2.61
TPSA
51.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.08
Supplementary Information
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