N-[Thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]-β-alanine

CAS Registry Number®

519056-57-6
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CAS Name

N-[Thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]-β-alanine

Molecular Formula

C11H11F3N2O2S

Molecular Mass

292.28

Cite this Page

N-[Thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]-β-alanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=519056-57-6 (retrieved 2024-04-30) (CAS RN: 519056-57-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H11F3N2O2S/c12-11(13,14)7-3-1-2-4-8(7)16-10(19)15-6-5-9(17)18/h1-4H,5-6H2,(H,17,18)(H2,15,16,19)

InChIKey

InChIKey=XYMHGKUYYQCCBV-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=C(NC(NCCC(O)=O)=S)C=CC=C1

Canonical SMILES

O=C(O)CCNC(=S)NC=1C=CC=CC1C(F)(F)F

Other Names for this Substance

  • β-Alanine, N-[thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]-
  • N-[Thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]-β-alanine

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