CAS 898780-13-7

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-[2-(methylthio)phenyl]-

Description:

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-[2-(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-4-fluorophenyl group and a 2-(methylthio)phenyl group, contributing to its unique chemical properties. The presence of halogen atoms, such as chlorine and fluorine, typically enhances the compound's reactivity and can influence its physical properties, such as boiling and melting points. The methylthio group may also impart specific electronic characteristics, affecting the compound's behavior in chemical reactions. As a ketone, it is likely to exhibit typical ketone reactivity, including nucleophilic addition reactions. The compound's molecular structure suggests potential applications in pharmaceuticals or agrochemicals, where such functional groups are often found. However, specific safety and handling guidelines should be followed due to the presence of halogens and sulfur in its structure.

Formula: C₁₆H₁₄ClFOS

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

InChI key: InChIKey=CLVIUFIBEAFUBO-UHFFFAOYSA-N

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

Synonyms:

• 1-(3-Chloro-4-fluorophenyl)-3-[2-(methylsulfanyl)phenyl]-1-propanone
• 1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-[2-(methylthio)phenyl]-