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CAS 23249-95-8

:

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

Description:
4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid, with the CAS number 23249-95-8, is a chemical compound that features a benzoic acid moiety substituted with a tetrazole ring. This compound is characterized by its unique structure, which includes a five-membered tetrazole ring containing sulfur, contributing to its potential reactivity and biological activity. The presence of the carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The thioxo group in the tetrazole ring can influence the compound's electronic properties and reactivity, making it of interest in various chemical and pharmaceutical applications. Additionally, compounds with tetrazole structures are often studied for their potential as pharmaceuticals, agrochemicals, or in materials science due to their diverse biological activities and ability to form coordination complexes. Overall, this compound's unique structural features suggest potential utility in medicinal chemistry and other fields.
Formula:C8H6N4O2S
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)
InChI key:InChIKey=GDVFHEXRJFFDDB-UHFFFAOYSA-N
SMILES:S=C1N(N=NN1)C2=CC=C(C(O)=O)C=C2
Synonyms:
  • 1-(4-Carboxyphenyl)-5-mercapto-1H-tetrazole
  • 1-(4-Carboxyphenyl)-5-mercaptotetrazole
  • 4-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)benzoic acid
  • 4-(5-Mercapto-1H-tetrazol-1-yl)benzoic acid
  • Benzoic acid, 4-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
  • Benzoic acid, p-(5-mercapto-1H-tetrazol-1-yl)-
  • benzoic acid, 4-(5-mercapto-1H-tetrazol-1-yl)-
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