L-Methionine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

68739-90-2
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CAS Name

L-Methionine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C12H17NO2S.C7H8O3S

Cite this Page

L-Methionine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68739-90-2 (retrieved 2024-08-22) (CAS RN: 68739-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    129.51 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17NO2S.C7H8O3S/c1-16-8-7-11(13)12(14)15-9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-9,13H2,1H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1

InChIKey

InChIKey=HVNFDGNZVKCCTM-MERQFXBCSA-N

SMILES

C(OC([C@H](CCSC)N)=O)C1=CC=CC=C1.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCC=1C=CC=CC1)C(N)CCSC.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • L-Methionine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
  • L-Methionine, phenylmethyl ester, 4-methylbenzenesulfonate
  • Methionine, benzyl ester, p-toluenesulfonate
  • (S)-Benzyl 2-amino-4-(methylthio)butanoate 4-methylbenzenesulfonate

Deleted or Replaced CAS Registry Numbers

1802065-69-5