CAS 898781-63-0

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-[4-(methylthio)phenyl]-

Description:

1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-[4-(methylthio)phenyl]- is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a propanone backbone with substituents that include a 3-chloro-5-fluorophenyl group and a 4-(methylthio)phenyl group, contributing to its unique chemical properties. The presence of halogen atoms (chlorine and fluorine) typically enhances the compound's reactivity and may influence its biological activity, making it of interest in pharmaceutical research. The methylthio group can also affect the compound's solubility and interaction with biological targets. In terms of physical properties, compounds of this nature often exhibit moderate to high lipophilicity, which can impact their absorption and distribution in biological systems. Additionally, the molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and electrophilic additions, making it a versatile compound in synthetic organic chemistry. Overall, this compound's unique substituents and functional groups position it as a candidate for further study in medicinal chemistry and related fields.

Formula: C₁₆H₁₄ClFOS

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

InChI key: InChIKey=IBTUIWKAJMVYOL-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(SC)C=C1)(=O)C2=CC(Cl)=CC(F)=C2

Synonyms:

• 1-(3-Chloro-5-fluorophenyl)-3-[4-(methylsulfanyl)phenyl]-1-propanone
• 1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-[4-(methylthio)phenyl]-