CAS 861433-17-2: 5-[4-(Cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

Description:5-[4-(Cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole core, which is a five-membered ring containing three nitrogen atoms. This compound features a cyclopentyloxy group attached to a phenyl ring, contributing to its lipophilicity and potential biological activity. The presence of the thione functional group (–S=) indicates that it may exhibit properties typical of thioketones, such as reactivity in nucleophilic substitution reactions. The dihydro and methyl substituents on the triazole ring suggest that it may have a unique three-dimensional conformation, influencing its interactions with biological targets. This compound may be of interest in medicinal chemistry for its potential pharmacological properties, including antimicrobial or antifungal activities, although specific biological data would be necessary to confirm such effects. Its CAS number, 861433-17-2, allows for easy identification in chemical databases and literature. Overall, this compound represents a class of heterocyclic compounds that may have diverse applications in drug development.

Formula:C₁₄H₁₇N₃OS

InChI:InChI=1S/C14H17N3OS/c1-17-13(15-16-14(17)19)10-6-8-12(9-7-10)18-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H,16,19)

InChI key:InChIKey=WQSJRYKORJSYNM-UHFFFAOYSA-N

SMILES:S=C1NN=C(C=2C=CC(OC3CCCC3)=CC2)N1C

• Synonyms:
• 5-[4-(Cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-[4-(cyclopentyloxy)phenyl]-2,4-dihydro-4-methyl-