2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

204387-54-2
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CAS Name

2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C7H8O3S.C5H8N2

Cite this Page

2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=204387-54-2 (retrieved 2024-09-11) (CAS RN: 204387-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H8O3S.C5H8N2/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-5-2-1-3-7-5/h2-5H,1H3,(H,8,9,10);5,7H,1-3H2/t;5-/m.0/s1

InChIKey

InChIKey=ZILVRYHBTINJDJ-ZSCHJXSPSA-N

SMILES

C(#N)[C@@H]1CCCN1.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

N#CC1NCCC1.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • 2-Pyrrolidinecarbonitrile, (2S)-, 4-methylbenzenesulfonate (1:1)
  • 2-Pyrrolidinecarbonitrile, (2S)-, mono(4-methylbenzenesulfonate)
  • (2S)-2-Pyrrolidinecarbonitrile 4-methylbenzenesulfonate