CAS 1306606-60-9

4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-ethanethioamide

Description:

4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-ethanethioamide is a chemical compound characterized by its unique structural features, including a pyrazole ring, a bromine atom, and a trifluoromethyl group. The presence of the bromine atom contributes to its reactivity and potential applications in various chemical reactions, while the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The ethanethioamide functional group introduces a thiolamide moiety, which can participate in various chemical transformations and may exhibit specific interactions in biological systems. This compound is of interest in medicinal chemistry and agrochemicals due to its potential pharmacological properties. Its molecular structure suggests that it may exhibit unique physical and chemical properties, such as solubility in organic solvents and stability under certain conditions. As with many halogenated compounds, it is essential to consider its environmental impact and toxicity when evaluating its applications. Overall, 4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-ethanethioamide represents a versatile building block in synthetic chemistry.

Formula: C₆H₅BrF₃N₃S

InChI: InChI=1S/C6H5BrF3N3S/c7-3-1-13(2-4(11)14)12-5(3)6(8,9)10/h1H,2H2,(H2,11,14)

InChI key: InChIKey=BKLVFJJYDRCABZ-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=NN(CC(N)=S)C=C1Br

Synonyms:

• 1H-Pyrazole-1-ethanethioamide, 4-bromo-3-(trifluoromethyl)-
• 4-Bromo-3-(trifluoromethyl)-1H-pyrazole-1-ethanethioamide