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CAS 313339-35-4

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4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid

Description:
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid is a heterocyclic organic compound characterized by a pyrimidine ring substituted with two chlorine atoms at the 4 and 6 positions, a methylsulfanyl group at the 2 position, and a carboxylic acid functional group at the 5 position. This compound is typically a solid at room temperature and is soluble in polar solvents due to the presence of the carboxylic acid group. Its molecular structure suggests potential applications in pharmaceuticals, particularly as an intermediate in the synthesis of biologically active compounds. The presence of chlorine atoms may impart specific reactivity and influence the compound's biological activity, while the methylsulfanyl group can enhance lipophilicity. Additionally, the compound's unique structure may exhibit interesting properties such as antimicrobial or herbicidal activity, making it a subject of interest in medicinal chemistry and agrochemical research. Safety and handling precautions should be observed, as with many halogenated compounds, due to potential toxicity and environmental impact.
Formula:C6H4Cl2N2O2S
InChI:InChI=1/C6H4Cl2N2O2S/c1-13-6-9-3(7)2(5(11)12)4(8)10-6/h1H3,(H,11,12)
SMILES:CSc1nc(c(c(Cl)n1)C(=O)O)Cl
Synonyms:
  • 4,6-Dichloro-2-(methylthio)pyrimidine-5-carboxylicacid
  • 5-Pyrimidinecarboxylic Acid, 4,6-Dichloro-2-(Methylthio)-
  • 4,6-Dichloro-2-(Methylthio)Pyrimidine-5-Carboxylic Acid
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