Phenylmercapturic acid
CAS Registry Number®
4775-80-8
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CAS Name
Phenylmercapturic acidMolecular Formula
C11H13NO3SMolecular Mass
239.29Cite this Page
Phenylmercapturic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4775-80-8 (retrieved ) (CAS RN: 4775-80-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
142 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
InChIKey=CICOZWHZVMOPJS-JTQLQIEISA-N
SMILES
[C@@H](CSC1=CC=CC=C1)(NC(C)=O)C(O)=O
Canonical SMILES
O=C(O)C(NC(=O)C)CSC=1C=CC=CC1
Other Names for this Substance
- L-Cysteine, N-acetyl-S-phenyl-
- Alanine, N-acetyl-3-(phenylthio)-
- N-Acetyl-S-phenyl-L-cysteine
- Phenylmercapturic acid
- S-Phenylmercapturic acid
