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CAS 63314-58-9

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4-(4-methylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:
4-(4-Methylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with the CAS number 63314-58-9, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom within the triazole framework. The compound also has two phenyl groups and a methyl-substituted phenyl group, contributing to its overall hydrophobic character and potential for various interactions. It is typically studied for its biological activity, particularly in the fields of medicinal chemistry and agrochemicals, where such triazole derivatives may exhibit antifungal, antibacterial, or herbicidal properties. The presence of multiple aromatic rings suggests potential for π-π stacking interactions, which can influence its solubility and reactivity. As with many organic compounds, its stability and reactivity can be influenced by environmental factors such as pH and temperature.
Formula:C15H13N3S
InChI:InChI=1/C15H13N3S/c1-11-7-9-13(10-8-11)18-14(16-17-15(18)19)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)
SMILES:Cc1ccc(cc1)n1c(c2ccccc2)nnc1S
Synonyms:
  • 4-(4-Methylphenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol
  • 4H-1,2,4-Triazole-3-thiol, 4-(4-methylphenyl)-5-phenyl-
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