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CAS 181997-71-7

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1-[2-Chloro-3-methyl-4-(methylthio)phenyl]ethanone

Description:
1-[2-Chloro-3-methyl-4-(methylthio)phenyl]ethanone, with the CAS number 181997-71-7, is an organic compound characterized by its complex aromatic structure. It features a phenyl ring substituted with a chlorine atom, a methyl group, and a methylthio group, contributing to its unique chemical properties. The presence of the ethanone functional group indicates that it is a ketone, which typically exhibits reactivity associated with carbonyl compounds, such as nucleophilic addition. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity. Its molecular structure suggests that it could participate in electrophilic aromatic substitution reactions, and the substituents may influence its reactivity and interaction with biological targets. Additionally, the chlorine and methylthio groups can enhance lipophilicity, potentially affecting its solubility and permeability in biological systems. Overall, this compound's characteristics make it a subject of interest for further research and application in synthetic chemistry and medicinal chemistry.
Formula:C10H11ClOS
InChI:InChI=1/C10H11ClOS/c1-6-9(13-3)5-4-8(7(2)12)10(6)11/h4-5H,1-3H3
InChI key:InChIKey=ZSHNSXSONOHWNB-UHFFFAOYSA-N
SMILES:C(C)(=O)C1=C(Cl)C(C)=C(SC)C=C1
Synonyms:
  • 1-(2-Chloro-3-methyl-4-methylsulfanyl-phenyl)-ethanone
  • Ethanone, 1-[2-chloro-3-methyl-4-(methylthio)phenyl]-
  • 2-Chloro-3-methyl-4-methylthioacetophenone
  • 1-[2-Chloro-3-methyl-4-(methylsulfanyl)phenyl]ethan-1-one
  • 1-[2-Chloro-3-methyl-4-(methylthio)phenyl]ethanone
  • 1-(2-CHLORO-3-METHYL-4-METHYLSULFANYL-PHENYL)-ETHANONE(WXC06046)
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