Benzylmercapturic acid
CAS Registry Number®
19542-77-9
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CAS Name
Benzylmercapturic acidMolecular Formula
C12H15NO3SMolecular Mass
253.32Cite this Page
Benzylmercapturic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=19542-77-9 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
26258-01-5
