CAS 847503-24-6

2,4-Dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)-3H-1,2,4-triazole-3-thione

Description:

2,4-Dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its complex structure, which includes a triazole ring and a thione functional group. This compound features a tetrahydrobenzo[b]thien moiety, contributing to its unique properties and potential biological activity. The presence of the thione group suggests that it may exhibit thioketone-like reactivity, which can be significant in various chemical reactions. Additionally, the isopropyl group (1-methylethyl) attached to the triazole ring may influence its solubility and interaction with biological targets. The compound's structure indicates potential applications in pharmaceuticals or agrochemicals, particularly in areas where triazole derivatives are known for their fungicidal or herbicidal properties. Its specific characteristics, such as melting point, solubility, and reactivity, would require empirical investigation to fully understand its behavior in different environments. Overall, this compound represents a class of heterocyclic compounds with diverse applications in chemistry and biology.

Formula: C₁₄H₁₉N₃S₂

InChI: InChI=1S/C14H19N3S2/c1-8(2)17-13(15-16-14(17)18)11-7-19-12-6-9(3)4-5-10(11)12/h7-9H,4-6H2,1-3H3,(H,16,18)

InChI key: InChIKey=SOKIGPJKYWWAAJ-UHFFFAOYSA-N

SMILES: C(C)(C)N1C(C=2C3=C(SC2)CC(C)CC3)=NNC1=S

Synonyms:

• 2,4-Dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)-
• 4-ISOPROPYL-5-(6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL