이름: 2-methyl-1H-1,2,4-triazole-3-thione
SMILES:
Cn1[nH]cnc1=SMolecular Processing
Molecular formula
C3H5N3S
Molecular weight
115.16
Exact mass
115.0204
XLogP
0.48
TPSA
33.61
H-bond donors
1
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
28.39
Supplementary Information
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