Benzylmercapturic acid

CAS Registry Number®

19542-77-9

CAS Name

Benzylmercapturic acid

Molecular Formula

C12H15NO3S

Molecular Mass

253.32

Cite this Page

Benzylmercapturic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19542-77-9 (retrieved 2024-11-22) (CAS RN: 19542-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156-157 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1

InChIKey

InChIKey=BJUXDERNWYKSIQ-NSHDSACASA-N

SMILES

C(SC[C@H](NC(C)=O)C(O)=O)C1=CC=CC=C1

Canonical SMILES

O=C(O)C(NC(=O)C)CSCC=1C=CC=CC1

Other Names for this Substance

  • L-Cysteine, N-acetyl-S-(phenylmethyl)-
  • Alanine, N-acetyl-3-(benzylthio)-, L-
  • N-Acetyl-S-(phenylmethyl)-L-cysteine
  • Benzylmercapturic acid
  • S-Benzyl-N-acetyl-L-cysteine

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Deleted or Replaced CAS Registry Numbers

26258-01-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration