o-Aminophenyl mercapturic acid

HCID 539488
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Basic information

Standard SMILES
CC(=O)NC(CSc1ccccc1N)C(=O)O
InChIKey
UVJUXBGCIHLQER-UHFFFAOYSA-N
Molecular formula
C11H14N2O3S
Average molar mass
254.31 g/mol
Monoisotopic mass
254.07251349

Names & identifiers

Preferred name
o-Aminophenyl mercapturic acid
IUPAC
2-acetamido-3-(2-aminophenyl)sulfanylpropanoic acid

Names & synonyms

o-Aminophenyl mercapturic acido-Aminophenyl mercaphuric acidSCHEMBL11004988UVJUXBGCIHLQER-UHFFFAOYSA-NN-Acetyl(2-aminophenyl)cysteine #AKOS013908303

Database identifiers

PubChem CID
539488

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
118 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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