Phenylmercapturic acid

CAS Registry Number®

4775-80-8

CAS Name

Phenylmercapturic acid

Molecular Formula

C11H13NO3S

Molecular Mass

239.29

Cite this Page

Phenylmercapturic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4775-80-8 (retrieved 2024-11-24) (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

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