4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid

CAS Registry Number®

23249-95-8
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CAS Name

4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid

Molecular Formula

C8H6N4O2S

Molecular Mass

222.22

Cite this Page

4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23249-95-8 (retrieved 2024-07-05) (CAS RN: 23249-95-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H6N4O2S/c13-7(14)5-1-3-6(4-2-5)12-8(15)9-10-11-12/h1-4H,(H,13,14)(H,9,11,15)

InChIKey

InChIKey=GDVFHEXRJFFDDB-UHFFFAOYSA-N

SMILES

S=C1N(N=NN1)C2=CC=C(C(O)=O)C=C2

Canonical SMILES

O=C(O)C1=CC=C(C=C1)N2N=NNC2=S

Other Names for this Substance

  • Benzoic acid, 4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
  • Benzoic acid, p-(5-mercapto-1H-tetrazol-1-yl)-
  • 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid
  • 1-(4-Carboxyphenyl)-5-mercaptotetrazole
  • 1-(4-Carboxyphenyl)-5-mercapto-1H-tetrazole

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Deleted or Replaced CAS Registry Numbers

41018-10-4, 1199749-47-7