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CAS 134796-34-2

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3-[(4-CHLOROBENZYL)THIO]-1H-1,2,4-TRIAZOLE

Description:
3-[(4-Chlorobenzyl)thio]-1H-1,2,4-triazole is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. The presence of a thioether group, specifically the 4-chlorobenzylthio moiety, contributes to its unique properties, including potential biological activity. This compound is often studied for its applications in pharmaceuticals and agrochemicals, particularly due to its ability to interact with biological systems. The chlorobenzyl group may enhance lipophilicity, influencing the compound's solubility and permeability. Additionally, the triazole ring is known for its role in various medicinal chemistry applications, including antifungal and antimicrobial activities. The compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, which can affect its reactivity and stability. Overall, 3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazole is of interest in both synthetic and applied chemistry contexts, warranting further investigation into its properties and potential uses.
Formula:C9H8ClN3S
InChI:InChI=1/C9H8ClN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
SMILES:c1cc(ccc1CSc1nc[nH]n1)Cl
Synonyms:
  • 1H-1,2,4-triazole, 3-[[(4-chlorophenyl)methyl]thio]-
  • 1H-1,2,4-Triazole, 5-[[(4-chlorophenyl)methyl]thio]-
  • 3-[(4-Chlorobenzyl)sulfanyl]-1H-1,2,4-triazole
  • 4H-1,2,4-triazole, 3-[[(4-chlorophenyl)methyl]thio]-
  • 5-[(4-Chlorobenzyl)sulfanyl]-1H-1,2,4-triazole
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