CAS 750599-18-9

4-(4-Fluorophenyl)-2,4-dihydro-5-[1-(1-piperidinyl)ethyl]-3H-1,2,4-triazole-3-thione

Description:

4-(4-Fluorophenyl)-2,4-dihydro-5-[1-(1-piperidinyl)ethyl]-3H-1,2,4-triazole-3-thione, with CAS number 750599-18-9, is a chemical compound characterized by its triazole core, which is a five-membered heterocyclic ring containing three nitrogen atoms. This compound features a fluorophenyl group, which enhances its lipophilicity and may influence its biological activity. The presence of a piperidinyl group suggests potential interactions with biological targets, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. The thione functional group (–S=) indicates that it may exhibit unique reactivity and properties compared to its corresponding thiol or sulfonyl derivatives. The compound's structure suggests potential applications in various fields, including agrochemicals and pharmaceuticals, particularly in the development of antifungal or antibacterial agents. Its specific characteristics, such as solubility, stability, and reactivity, would depend on the surrounding conditions and the presence of other functional groups. Further studies would be necessary to elucidate its full range of properties and potential applications.

Formula: C₁₅H₁₉FN₄S

InChI: InChI=1S/C15H19FN4S/c1-11(19-9-3-2-4-10-19)14-17-18-15(21)20(14)13-7-5-12(16)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)

InChI key: InChIKey=KNOGJOJWLPDNRE-UHFFFAOYSA-N

SMILES: C(C)(C=1N(C(=S)NN1)C2=CC=C(F)C=C2)N3CCCCC3

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 4-(4-fluorophenyl)-2,4-dihydro-5-[1-(1-piperidinyl)ethyl]-
• 4-(4-Fluorophenyl)-2,4-dihydro-5-[1-(1-piperidinyl)ethyl]-3H-1,2,4-triazole-3-thione