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CAS 38275-39-7

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5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, methyl ester

Description:
5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, methyl ester, with the CAS number 38275-39-7, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group, which is esterified with a methyl group, indicating it is a methyl ester. The presence of a chlorine atom at the 4-position and a methylthio group at the 2-position contributes to its unique chemical properties and reactivity. The methylthio group, which consists of a sulfur atom bonded to a methyl group, can influence the compound's solubility and biological activity. This compound may be of interest in pharmaceutical research and synthesis due to its potential applications in medicinal chemistry. Its characteristics, including solubility, melting point, and reactivity, can vary based on the specific conditions and solvents used in experiments.
Formula:C7H7ClN2O2S
InChI:InChI=1S/C7H7ClN2O2S/c1-12-6(11)4-3-9-7(13-2)10-5(4)8/h3H,1-2H3
InChI key:InChIKey=CWCIRKYVMLTHRR-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C(Cl)=NC(SC)=NC1
Synonyms:
  • Methyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate
  • 5-Pyrimidinecarboxylic acid, 4-chloro-2-(methylthio)-, methyl ester
  • Methyl 2-methylthio-4-chloro-5-pyrimidinecarboxylate
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