SMILES:
C#CC(C)(C)N=C(NC#N)SCMolecular Processing
Molecular formula
C8H11N3S
Molecular weight
181.26
Exact mass
181.0674
XLogP
1.19
TPSA
48.18
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
52.61
Supplementary Information
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