CAS 866039-82-9

2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione 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, contributing to its reactivity and potential biological activity. The presence of a pentylcyclohexyl substituent suggests that the compound may exhibit hydrophobic properties, influencing its solubility and interaction with biological membranes. The methyl group at the 4-position of the triazole ring may also affect its steric and electronic properties. This compound is of interest in various fields, including medicinal chemistry and agricultural science, due to its potential applications as a fungicide or in other therapeutic areas. Its specific characteristics, such as melting point, boiling point, and solubility, would typically be determined through experimental methods and may vary based on purity and environmental conditions.

Formula: C₁₄H₂₅N₃S

InChI: InChI=1S/C14H25N3S/c1-3-4-5-6-11-7-9-12(10-8-11)13-15-16-14(18)17(13)2/h11-12H,3-10H2,1-2H3,(H,16,18)

InChI key: InChIKey=GSSBHFLULCGMNG-UHFFFAOYSA-N

SMILES: CN1C(=NNC1=S)C2CCC(CCCCC)CC2

Synonyms:

• 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(4-pentylcyclohexyl)-