Название: methyl 2-amino-4-methylsulfanylbenzoate
SMILES:
COC(=O)C1=C(C=C(C=C1)SC)NMolecular Processing
Molecular formula
C9H11NO2S
Molecular weight
197.26
Exact mass
197.051
XLogP
1.78
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
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
0.222
Molar refractivity
53.97
Supplementary Information
InChIKey: IKZNVXZVFKLFQX-UHFFFAOYSA-N
Синонимы
methyl 2-amino-4-(methylthio)benzoateSCHEMBL6492188IKZNVXZVFKLFQX-UHFFFAOYSA-N
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