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CAS 14070-49-6

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N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]hexanamide

Description:
N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]hexanamide, with the CAS number 14070-49-6, is a chemical compound that features a complex structure incorporating a hexanamide moiety and a phenyl group substituted with a tetrazole derivative. This compound is characterized by its potential biological activity, which may include antimicrobial or anti-inflammatory properties, owing to the presence of the tetrazole ring, known for its pharmacological significance. The thioxo group contributes to its reactivity and may influence its interaction with biological targets. The compound is typically solid at room temperature and may exhibit moderate solubility in organic solvents. Its synthesis often involves multi-step organic reactions, highlighting the importance of careful handling and characterization techniques such as NMR and mass spectrometry to confirm its structure. As with many chemical substances, safety data sheets should be consulted for information on toxicity and handling precautions, especially in laboratory settings.
Formula:C13H17N5OS
InChI:InChI=1S/C13H17N5OS/c1-2-3-4-8-12(19)14-10-6-5-7-11(9-10)18-13(20)15-16-17-18/h5-7,9H,2-4,8H2,1H3,(H,14,19)(H,15,17,20)
InChI key:InChIKey=YWOUQJSJOIEEIW-UHFFFAOYSA-N
SMILES:S=C1N(C2=CC(NC(CCCCC)=O)=CC=C2)N=NN1
Synonyms:
  • 1-(3-Hexanoylamino-phenyl)-1,4-dihydro-tetrazole-5-thione
  • Hexanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-
  • N-[3-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]hexanamide
  • Hexananilide, 3′-(5-mercapto-1H-tetrazol-1-yl)-
  • 1-(3-Capramido)-1-phenyl-5-mercaptotetrazole
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