CAS 590376-61-7

5-Cyclohexyl-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Description:

5-Cyclohexyl-2,4-dihydro-4-(2-propen-1-yl)-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 cyclohexyl group and a propenyl substituent, contributing to its unique physical and chemical properties. The presence of the thione functional group (–C=S) indicates that it may exhibit distinct reactivity compared to its oxo analogs. Typically, compounds of this nature may demonstrate biological activity, potentially serving as fungicides or herbicides, due to the triazole moiety's known role in inhibiting certain enzyme pathways in organisms. The compound's solubility, stability, and reactivity can be influenced by the steric and electronic effects of the cyclohexyl and propenyl groups. Additionally, its molecular structure suggests potential applications in agricultural chemistry or medicinal chemistry, although specific biological activities would require empirical investigation. Safety and handling precautions should be observed, as with any chemical substance, particularly those with potential biological activity.

Formula: C₁₁H₁₇N₃S

InChI: InChI=1S/C11H17N3S/c1-2-8-14-10(12-13-11(14)15)9-6-4-3-5-7-9/h2,9H,1,3-8H2,(H,13,15)

InChI key: InChIKey=BCLVTKWIMAUZQF-UHFFFAOYSA-N

SMILES: C(C=C)N1C(=NNC1=S)C2CCCCC2

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-cyclohexyl-2,4-dihydro-4-(2-propen-1-yl)-
• 3H-1,2,4-Triazole-3-thione, 5-cyclohexyl-2,4-dihydro-4-(2-propenyl)-
• 4-Allyl-5-cyclohexyl-4H-1,2,4-triazole-3-thiol
• 4H-1,2,4-triazole-3-thiol, 5-cyclohexyl-4-(2-propen-1-yl)-
• 5-Cyclohexyl-2,4-dihydro-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

4-allyl-5-cyclohexyl-4H-1,2,4-triazole-3-thiol

CAS: 590376-61-7

Formula: C₁₁H₁₇N₃S

Purity: 95.0%

Molecular weight: 223.34

Ref: 10-F307737