CAS 116850-58-9

4-Methyl-3-(methylsulfonyl)-5-(2-thienyl)-4H-1,2,4-triazole

Description:

4-Methyl-3-(methylsulfonyl)-5-(2-thienyl)-4H-1,2,4-triazole is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a methyl group and a methylsulfonyl group, contributing to its polar nature and potential solubility in polar solvents. The presence of a thienyl group, derived from thiophene, introduces aromatic characteristics, enhancing its stability and reactivity. This compound is often studied for its biological activity, particularly in agricultural applications as a fungicide or in medicinal chemistry for potential therapeutic effects. Its molecular structure allows for various interactions with biological targets, making it of interest in drug design and development. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other substances. Overall, 4-Methyl-3-(methylsulfonyl)-5-(2-thienyl)-4H-1,2,4-triazole exemplifies the complexity and versatility of heterocyclic compounds in both industrial and research settings.

Formula: C₈H₉N₃O₂S₂

InChI: InChI=1S/C8H9N3O2S2/c1-11-7(6-4-3-5-14-6)9-10-8(11)15(2,12)13/h3-5H,1-2H3

InChI key: InChIKey=UVRYKOHAXXGPIY-UHFFFAOYSA-N

SMILES: CN1C(=NN=C1S(C)(=O)=O)C2=CC=CS2

Synonyms:

• 4-Methyl-3-(methylsulfonyl)-5-(2-thienyl)-4H-1,2,4-triazole
• 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-thienyl)-

4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-thienyl)-

CAS: 116850-58-9

Formula: C₈H₉N₃O₂S₂

Molecular weight: 243.306

Ref: IN-DA000DAT