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CAS 1186404-89-6

:

4-Methoxy-2-(methylthio)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid

Description:
4-Methoxy-2-(methylthio)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid is a heterocyclic organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms. This compound features a methoxy group (-OCH3) and a methylthio group (-S-CH3) that contribute to its chemical reactivity and solubility properties. The presence of a trifluoromethyl group (-CF3) enhances its lipophilicity and can influence its biological activity, making it of interest in pharmaceutical research. The carboxylic acid functional group (-COOH) provides acidic properties and can participate in hydrogen bonding, affecting its interactions in biological systems. This compound may exhibit unique pharmacological properties due to its structural features, making it a candidate for further investigation in medicinal chemistry. Its CAS number, 1186404-89-6, allows for easy identification in chemical databases and literature. Overall, the combination of these functional groups contributes to the compound's potential applications in various fields, including drug development and agrochemicals.
Formula:C8H7F3N2O3S
InChI:InChI=1S/C8H7F3N2O3S/c1-16-5-3(6(14)15)4(8(9,10)11)12-7(13-5)17-2/h1-2H3,(H,14,15)
InChI key:InChIKey=VCTUUTHJXNTUKY-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C(C(F)(F)F)=NC(SC)=NC1OC
Synonyms:
  • 4-Methoxy-2-(methylthio)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid
  • 5-Pyrimidinecarboxylic acid, 4-methoxy-2-(methylthio)-6-(trifluoromethyl)-
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