4-Methyl-5-phenyl-4H-1,2,4-triazole-3-sulfonic acid

CAS Registry Number®

874784-12-0
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CAS Name

4-Methyl-5-phenyl-4H-1,2,4-triazole-3-sulfonic acid

Molecular Formula

C9H9N3O3S

Molecular Mass

239.25

Cite this Page

4-Methyl-5-phenyl-4H-1,2,4-triazole-3-sulfonic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=874784-12-0 (retrieved 2024-07-03) (CAS RN: 874784-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9N3O3S/c1-12-8(7-5-3-2-4-6-7)10-11-9(12)16(13,14)15/h2-6H,1H3,(H,13,14,15)

InChIKey

InChIKey=JLHXPIOHZDOODW-UHFFFAOYSA-N

SMILES

CN1C(=NN=C1S(=O)(=O)O)C2=CC=CC=C2

Canonical SMILES

O=S(=O)(O)C1=NN=C(C=2C=CC=CC2)N1C

Other Names for this Substance

  • 4H-1,2,4-Triazole-3-sulfonic acid, 4-methyl-5-phenyl-
  • 4-Methyl-5-phenyl-4H-1,2,4-triazole-3-sulfonic acid