CAS 898781-61-8

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

Description:

1-(2-Chloro-4-fluoro-phenyl)-3-(4-methylsulfanylphenyl)propan-1-one, with the CAS number 898781-61-8, is an organic compound characterized by its complex structure, which includes a propanone backbone substituted with both a chloro and a fluoro group on one phenyl ring, and a methylsulfanyl group on another phenyl ring. This compound is likely to exhibit significant biological activity due to the presence of halogen atoms and a sulfur-containing group, which can influence its reactivity and interaction with biological targets. The chloro and fluoro substituents can enhance lipophilicity and affect the compound's pharmacokinetics, while the methylsulfanyl group may contribute to its overall stability and solubility. Additionally, the presence of multiple aromatic rings suggests potential for π-π stacking interactions, which can be relevant in drug design and molecular recognition processes. Overall, this compound's unique functional groups and structural features make it a subject of interest in medicinal chemistry and material science.

Formula: C₁₆H₁₄ClFOS

InChI: InChI=1/C16H14ClFOS/c1-20-13-6-2-11(3-7-13)4-9-16(19)14-8-5-12(18)10-15(14)17/h2-3,5-8,10H,4,9H2,1H3

SMILES: CSc1ccc(cc1)CCC(=O)c1ccc(cc1Cl)F