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CAS 6596-82-3

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4-cyclohexyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:
4-Cyclohexyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, with CAS number 6596-82-3, is a heterocyclic compound characterized by its triazole ring structure, which contains both sulfur and nitrogen atoms. This compound typically exhibits a range of biological activities, making it of interest in medicinal chemistry and agricultural applications. Its structure includes a cyclohexyl group and a phenyl group, contributing to its lipophilicity and potential interactions with biological targets. The thione functional group (–C=S) is significant for its reactivity and can influence the compound's stability and solubility. In terms of physical properties, it may be a solid at room temperature, with potential applications in pharmaceuticals due to its ability to act as a bioactive agent. The compound's synthesis often involves multi-step organic reactions, and its characterization can be performed using techniques such as NMR, IR spectroscopy, and mass spectrometry to confirm its structure and purity. Overall, this compound represents a class of triazole derivatives that are valuable in various chemical and biological contexts.
Formula:C14H17N3S
InChI:InChI=1/C14H17N3S/c18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,16,18)
SMILES:c1ccc(cc1)c1nnc(n1C1CCCCC1)S
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-phenyl-
  • 4H-1,2,4-triazole-3-thiol, 4-cyclohexyl-5-phenyl-
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