Nombre: 5-(2-aminophenyl)-2,4-dihydro-4-ethyl-1H-[1,2,4]triazol-3-thione
SMILES:
CCN1C(=S)NNC1c1ccccc1NMolecular Processing
Molecular formula
C10H14N4S
Molecular weight
222.32
Exact mass
222.0939
XLogP
0.98
TPSA
53.32
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
64.84
Supplementary Information
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