이름: ethyl 3-[(aminocarbonothioyl)amino]benzoate
SMILES:
CCOC(=O)c1cccc(NC(N)=S)c1Molecular Processing
Molecular formula
C10H12N2O2S
Molecular weight
224.28
Exact mass
224.0619
XLogP
1.52
TPSA
64.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
62.81
Supplementary Information
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