SMILES:
Cc1cnc(N)s1Molecular Processing
Molecular formula
C4H6N2S
Molecular weight
114.17
Exact mass
114.0252
XLogP
1.03
TPSA
38.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
31.26
Supplementary Information
No supplementary data available
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