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CAS 136547-20-1

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2-(Methylthio)-4-(trifluoromethyl)pyrimidine

Description:
2-(Methylthio)-4-(trifluoromethyl)pyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a methylthio group and a trifluoromethyl group. The presence of the methylthio group (-S-CH3) introduces sulfur into the structure, which can influence the compound's reactivity and solubility. The trifluoromethyl group (-CF3) is known for its electron-withdrawing properties, which can enhance the compound's stability and alter its electronic characteristics. This compound is typically a solid at room temperature and may exhibit moderate to high lipophilicity due to the presence of the trifluoromethyl group. It is often used in pharmaceutical research and development, particularly in the synthesis of biologically active molecules. The unique combination of sulfur and fluorine substituents can impart specific biological activities, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as compounds with trifluoromethyl groups can sometimes exhibit toxicity or environmental concerns.
Formula:C6H5F3N2S
InChI:InChI=1S/C6H5F3N2S/c1-12-5-10-3-2-4(11-5)6(7,8)9/h2-3H,1H3
InChI key:InChIKey=RPTPMLRDQUSBRC-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=NC(SC)=NC=C1
Synonyms:
  • Pyrimidine, 2-(methylthio)-4-(trifluoromethyl)-
  • 2-Methylsulfanyl-4-(trifluoromethyl)pyrimidine
  • 2-(Methylthio)-4-(trifluoromethyl)pyrimidine
  • 2-(Methylsulfanyl)-4-(trifluoromethyl)pyrimidine
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