4'-(Methylthio)acetophenone

CAS: 1778-09-2

Ref. 3D-FM05973

Product Information

• Name: 4'-(Methylthio)acetophenone
• Synonyms: 1-(4-(Methylthio)phenyl)ethan-1-one, 1-(4-Methylphenyl)Ethanethione, 1-(4-Methylsulfanylphenyl)ethanone, 1-Acetyl-4-(methylthio)benzene, 1-[4-(Methylsulfanyl)Phenyl]Ethanone, 1-[4-(Methylsulfanyl)phenyl]ethan-1-one, 1-[4-(methylthio)phenyl]-Ethanone, 4-(Methylmercapto)-acetophenone, 4-(Methylsulfenyl)acetophenone, 4-Acetylphenyl methyl sulfide, 4-Acetylthioanisole, 4-Methylthioacetophenone, Acetophenone, 4′-(methylthio)-, Ethanone, 1-[4-(methylthio)phenyl]-, Methyl 4-(methylthio)phenyl ketone, Methyl p-acetylphenyl sulfide, NSC 403927, p-(Methylmercapto)acetophenone, p-(Methylthio)acetophenone, p-Acetylphenyl methyl sulfide, p-Acetylthioanisole

Description

4'-(Methylthio)acetophenone is a sulfide that is structurally similar to pyridine. It is an acidic compound and has been shown to have pharmacokinetic properties in rats. The molecular modeling of 4'-(methylthio)acetophenone has been used to predict its binding site on the cox-2 enzyme, which may inhibit this enzyme and reduce inflammation. This compound also inhibits the production of sulfides by bacteria, which can lead to the accumulation of chloride ions in polluted water.

• Brand: Biosynth

Chemical properties

• Molecular weight: 166.24 g/mol
• Formula: C₉H₁₀OS
• Purity: Min. 95%
• InChI: InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
• InChI key: InChIKey=JECUZQLBQKNEMW-UHFFFAOYSA-N
• SMILES: CSc1ccc(C(C)=O)cc1