3-[[2-(4-Pyridinyl)ethyl]thio]valine

CAS Registry Number®

39555-40-3

CAS Name

3-[[2-(4-Pyridinyl)ethyl]thio]valine

Molecular Formula

C12H18N2O2S

Molecular Mass

254.35

Cite this Page

3-[[2-(4-Pyridinyl)ethyl]thio]valine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39555-40-3 (retrieved 2024-11-24) (CAS RN: 39555-40-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H18N2O2S/c1-12(2,10(13)11(15)16)17-8-5-9-3-6-14-7-4-9/h3-4,6-7,10H,5,8,13H2,1-2H3,(H,15,16)

InChIKey

InChIKey=FTTQQYAWBJGECY-UHFFFAOYSA-N

SMILES

C(C(C(O)=O)N)(SCCC=1C=CN=CC1)(C)C

Canonical SMILES

O=C(O)C(N)C(SCCC=1C=CN=CC1)(C)C

Other Names for this Substance

  • Valine, 3-[[2-(4-pyridinyl)ethyl]thio]-
  • DL-Valine, 3-[[2-(4-pyridinyl)ethyl]thio]-
  • 3-[[2-(4-Pyridinyl)ethyl]thio]valine
  • S-β-(4-Pyridylethyl)-DL-penicillamine
  • 2-Amino-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid

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