CAS 898780-31-9

1-(4-bromo-2-fluoro-phenyl)-3-(2-methylsulfanylphenyl)propan-1-one

Description:

1-(4-bromo-2-fluoro-phenyl)-3-(2-methylsulfanylphenyl)propan-1-one, with the CAS number 898780-31-9, is an organic compound characterized by its complex structure, which includes a propanone backbone substituted with a bromo and a fluoro group on one phenyl ring and a methylsulfanyl group on another. This compound is likely to exhibit properties typical of ketones, such as being a polar molecule due to the carbonyl group, which can engage in hydrogen bonding. The presence of halogen substituents (bromo and fluoro) can influence its reactivity and stability, potentially enhancing its lipophilicity and biological activity. The methylsulfanyl group may also contribute to its chemical behavior, possibly affecting its solubility and interaction with biological targets. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique substituents and potential applications in drug development or as a synthetic intermediate.

Formula: C₁₆H₁₄BrFOS

InChI: InChI=1/C16H14BrFOS/c1-20-16-5-3-2-4-11(16)6-9-15(19)13-8-7-12(17)10-14(13)18/h2-5,7-8,10H,6,9H2,1H3

InChI key: InChIKey=YOMIMDAVNCGIQF-UHFFFAOYSA-N

SMILES: CSc1ccccc1CCC(=O)c1ccc(cc1F)Br