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CAS 51291-31-7

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5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol

Description:
5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms and two carbon atoms. The presence of a thiol group (-SH) at the 3-position of the triazole ring imparts unique reactivity, particularly in nucleophilic substitution reactions and metal coordination. The benzyl group at the 5-position enhances the compound's lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. Additionally, the methyl group at the 4-position contributes to the steric and electronic properties of the molecule. This compound may exhibit various biological activities, including antimicrobial and antifungal properties, due to the presence of the triazole and thiol functionalities. Its solubility and stability can vary depending on the solvent and environmental conditions, which are important factors for its application in research and industry. Overall, 5-benzyl-4-methyl-4H-1,2,4-triazole-3-thiol is a versatile compound with potential applications in pharmaceuticals and agrochemicals.
Formula:C10H11N3S
InChI:InChI=1/C10H11N3S/c1-13-9(11-12-10(13)14)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14)
SMILES:Cn1c(Cc2ccccc2)nnc1S
Synonyms:
  • 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(phenylmethyl)-
  • 4H-1,2,4-Triazole-3-thiol, 4-methyl-5-(phenylmethyl)-
  • 5-Benzyl-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
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