CAS 1221792-04-6

5-(4-Bromo-3-fluorophenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione

Description:

5-(4-Bromo-3-fluorophenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. The presence of a bromine and a fluorine atom on the phenyl group contributes to its potential reactivity and biological activity. This compound features a thione functional group, indicating the presence of a sulfur atom double-bonded to a carbon atom, which can influence its chemical properties and interactions. The dihydro and methyl substituents on the triazole ring suggest that it may exhibit specific steric and electronic characteristics, potentially affecting its solubility and stability. Such compounds are often investigated for their pharmacological properties, including antimicrobial and antifungal activities. The molecular structure and substituents can significantly impact the compound's behavior in various chemical environments, making it of interest in medicinal chemistry and material science.

Formula: C₉H₇BrFN₃S

InChI: InChI=1S/C9H7BrFN3S/c1-14-8(12-13-9(14)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3,(H,13,15)

InChI key: InChIKey=XDHNFVSDXZTFMS-UHFFFAOYSA-N

SMILES: CN1C(C2=CC(F)=C(Br)C=C2)=NNC1=S

Synonyms:

• 5-(4-Bromo-3-fluorophenyl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 5-(4-bromo-3-fluorophenyl)-2,4-dihydro-4-methyl-