CAS 93378-58-6

2,4-Dihydro-5-(4-methylphenyl)-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-5-(4-methylphenyl)-4-(2-propen-1-yl)-3H-1,2,4-triazole-3-thione, with CAS number 93378-58-6, is a chemical compound belonging to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This particular compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which contributes to its reactivity and potential biological activity. The structure includes a propenyl group and a para-methylphenyl substituent, which can influence its solubility, stability, and interaction with biological targets. Compounds of this type are often studied for their potential applications in agriculture, particularly as fungicides or herbicides, due to their ability to inhibit specific biochemical pathways in plants or fungi. Additionally, the presence of multiple functional groups may impart unique properties, making it a subject of interest in medicinal chemistry for developing new pharmaceuticals. Overall, the characteristics of this compound suggest a complex interplay of chemical properties that could be leveraged in various applications.

Formula: C₁₂H₁₃N₃S

InChI: InChI=1S/C12H13N3S/c1-3-8-15-11(13-14-12(15)16)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3,(H,14,16)

InChI key: InChIKey=ZHSGDTYCPUCKAU-UHFFFAOYSA-N

SMILES: C(C=C)N1C(=NNC1=S)C2=CC=C(C)C=C2

Synonyms:

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