COC(=O)C1=CC=CC(=C1N)C2CCCS2
Nombre: methyl 2-amino-3-(thiolan-2-yl)benzoate
SMILES: COC(=O)C1=CC=CC(=C1N)C2CCCS2

Molecular Processing

Molecular formula
C12H15NO2S
Molecular weight
237.32
Exact mass
237.0823
XLogP
2.62
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.63

Supplementary Information

InChIKey: WGFKTZGOPPSADX-UHFFFAOYSA-N
Sinónimos
SCHEMBL11161745WGFKTZGOPPSADX-UHFFFAOYSA-NMethyl 2-amino-3-(tetrahydro-2-thienyl)benzoate
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