CAS 522624-44-8

5-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-(2-methoxy-1-methylethyl)-3H-1,2,4-triazole-3-thione

Description:

5-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-(2-methoxy-1-methylethyl)-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its triazole core, which is a five-membered ring containing three nitrogen atoms. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, contributing to its reactivity and potential biological activity. The presence of a fluorophenoxy group enhances its lipophilicity and may influence its interaction with biological targets. Additionally, the methoxy and isopropyl substituents provide steric bulk, which can affect the compound's pharmacokinetics and binding affinity. This compound is of interest in medicinal chemistry, particularly for its potential applications in agriculture or pharmaceuticals, where triazole derivatives are often explored for their fungicidal or therapeutic properties. Its unique structure suggests that it may exhibit specific biological activities, making it a candidate for further research and development in various chemical and biological applications.

Formula: C₁₃H₁₆FN₃O₂S

InChI: InChI=1S/C13H16FN3O2S/c1-9(7-18-2)17-12(15-16-13(17)20)8-19-11-6-4-3-5-10(11)14/h3-6,9H,7-8H2,1-2H3,(H,16,20)

InChI key: InChIKey=ACYXBQNTHKAMPH-UHFFFAOYSA-N

SMILES: C(COC)(C)N1C(COC2=C(F)C=CC=C2)=NNC1=S

Synonyms:

• 3H-1,2,4-Triazole-3-thione, 5-[(2-fluorophenoxy)methyl]-2,4-dihydro-4-(2-methoxy-1-methylethyl)-
• 5-[(2-Fluorophenoxy)methyl]-2,4-dihydro-4-(2-methoxy-1-methylethyl)-3H-1,2,4-triazole-3-thione

5-(2-Fluorophenoxymethyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazole-3-thiol

CAS: 522624-44-8

Versatile small molecule scaffold

Formula: C₁₃H₁₆FN₃O₂S

Purity: Min. 95%

Molecular weight: 297.35 g/mol

Ref: 3D-XVA62444