2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

CAS Registry Number®

832738-11-1
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CAS Name

2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

Molecular Formula

C5H5F3N4O2S

Molecular Mass

242.18

Cite this Page

2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=832738-11-1 (retrieved 2024-08-04) (CAS RN: 832738-11-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C5H5F3N4O2S/c6-5(7,8)3-10-11-4(12(3)9)15-1-2(13)14/h1,9H2,(H,13,14)

InChIKey

InChIKey=AMHVQHFHYBKZKH-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C=1N(N)C(SCC(O)=O)=NN1

Canonical SMILES

O=C(O)CSC1=NN=C(N1N)C(F)(F)F

Other Names for this Substance

  • Acetic acid, 2-[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-
  • Acetic acid, [[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]-
  • 2-[[4-Amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid