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CAS 1245906-73-3

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Borate(1-), trifluoro[5-(methylthio)-2-pyrimidinyl]-, potassium (1:1), (T-4)-

Description:
Borate(1-), trifluoro[5-(methylthio)-2-pyrimidinyl]-, potassium (1:1), commonly referred to by its CAS number 1245906-73-3, is a chemical compound that features a borate anion complexed with a potassium cation. This substance is characterized by the presence of a trifluoromethyl group and a methylthio substituent on a pyrimidine ring, which contributes to its unique chemical properties and potential biological activity. The trifluoromethyl group enhances the lipophilicity and metabolic stability of the compound, while the methylthio group can influence its reactivity and interaction with biological targets. As a borate compound, it may exhibit properties such as coordination with various metal ions and potential applications in catalysis or as a reagent in organic synthesis. The potassium salt form indicates its solubility in polar solvents, making it suitable for various applications in chemical research and development. Overall, this compound's structural features suggest potential utility in medicinal chemistry and agrochemical formulations.
Formula:C5H5BF3N2S·K
InChI:InChI=1S/C5H5BF3N2S.K/c1-12-4-2-10-5(11-3-4)6(7,8)9;/h2-3H,1H3;/q-1;+1
InChI key:InChIKey=CYOIAKKNOOFIBP-UHFFFAOYSA-N
SMILES:[B+3]([F-])([F-])([F-])[C-]=1N=CC(SC)=CN1.[K+]
Synonyms:
  • Borate(1-), trifluoro[5-(methylthio)-2-pyrimidinyl]-, potassium (1:1), (T-4)-
  • Potassium Trifluoro-(2-Methylsulfanylpyrimidin-5-Yl)Boranuide
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