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CAS 1191094-23-1

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5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(methylthio)-, ethyl ester

Description:
5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(methylthio)-, ethyl ester, identified by its CAS number 1191094-23-1, 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 contributes to its acidity and reactivity. The presence of a cyclopropyl group introduces unique steric and electronic properties, potentially influencing the compound's biological activity and chemical reactivity. The methylthio group enhances its solubility and may participate in various chemical reactions. As an ethyl ester, it exhibits characteristics typical of esters, such as volatility and the ability to undergo hydrolysis. This compound may be of interest in pharmaceutical research due to its structural features, which could be relevant for developing new therapeutic agents. Overall, its unique combination of functional groups and ring structure makes it a subject of interest in organic synthesis and medicinal chemistry.
Formula:C11H14N2O2S
InChI:InChI=1S/C11H14N2O2S/c1-3-15-10(14)8-6-12-11(16-2)13-9(8)7-4-5-7/h6-7H,3-5H2,1-2H3
InChI key:InChIKey=JWQNZVNBLPBLTB-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(=NC(SC)=NC1)C2CC2
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 4-cyclopropyl-2-(methylthio)-, ethyl ester
  • Ethyl 4-cyclopropyl-2-(methylthio)pyrimidine-5-carboxylate
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