2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid

CAS Registry Number®

852388-81-9
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CAS Name

2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid

Molecular Formula

C9H5F3N2O3S

Molecular Mass

278.21

Cite this Page

2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=852388-81-9 (retrieved 2024-08-31) (CAS RN: 852388-81-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H5F3N2O3S/c10-9(11,12)5-1-6(15)14-8(4(5)2-13)18-3-7(16)17/h1H,3H2,(H,14,15)(H,16,17)

InChIKey

InChIKey=BCKNFHHFPMZJJF-UHFFFAOYSA-N

SMILES

C(#N)C=1C(C(F)(F)F)=CC(=O)NC1SCC(O)=O

Canonical SMILES

N#CC1=C(SCC(=O)O)NC(=O)C=C1C(F)(F)F

Other Names for this Substance

  • Acetic acid, 2-[[3-cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]-
  • Acetic acid, [[3-cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]-
  • 2-[[3-Cyano-1,6-dihydro-6-oxo-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid
  • [[3-Cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl]thio]acetic acid
  • 2-[[3-Cyano-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridin-2-yl]sulfanyl]acetic acid