CAS 847503-22-4

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

Description:

2,4-Dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydrobenzo[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 reactivity typical of thioketones, potentially participating in nucleophilic addition reactions. Additionally, the isopropyl group (1-methylethyl) may influence its lipophilicity and solubility, affecting its interaction with biological systems. The compound's structure indicates potential applications in pharmaceuticals or agrochemicals, particularly in areas requiring specific biological activity or as a synthetic intermediate. Its CAS number, 847503-22-4, allows for easy identification in chemical databases, facilitating research and development efforts. Overall, this compound's unique structural features may contribute to its functional properties, warranting further investigation into its applications and mechanisms of action.

Formula: C₁₃H₁₇N₃S₂

InChI: InChI=1S/C13H17N3S2/c1-8(2)16-12(14-15-13(16)17)10-7-18-11-6-4-3-5-9(10)11/h7-8H,3-6H2,1-2H3,(H,15,17)

InChI key: InChIKey=GXYQMRCSDPKVFL-UHFFFAOYSA-N

SMILES: C(C)(C)N1C(C=2C3=C(SC2)CCCC3)=NNC1=S

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydrobenzo[b]thien-3-yl)-
• 2,4-Dihydro-4-(1-methylethyl)-5-(4,5,6,7-tetrahydrobenzo[b]thien-3-yl)-3H-1,2,4-triazole-3-thione