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CAS 648427-21-8

:

Acetic acid, oxo[[2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]phenyl]amino]-, ethyl ester

Description:
Acetic acid, oxo[[2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]phenyl]amino]-, ethyl ester, identified by CAS number 648427-21-8, is a chemical compound characterized by its complex structure that includes an acetic acid moiety, an ethyl ester group, and a pyrimidine derivative with a trifluoromethyl substituent. This compound typically exhibits properties associated with both acidic and ester functionalities, which can influence its solubility and reactivity. The presence of the trifluoromethyl group often enhances lipophilicity and can affect the compound's biological activity, making it of interest in pharmaceutical applications. Additionally, the thioether linkage contributes to its stability and potential interactions in biological systems. As with many organic compounds, its behavior in various solvents, thermal stability, and reactivity with nucleophiles or electrophiles can be significant for its applications in synthesis or as a potential drug candidate. Safety data should be consulted for handling and usage, as with all chemical substances.
Formula:C15H12F3N3O3S
InChI:InChI=1S/C15H12F3N3O3S/c1-2-24-13(23)12(22)20-9-5-3-4-6-10(9)25-14-19-8-7-11(21-14)15(16,17)18/h3-8H,2H2,1H3,(H,20,22)
InChI key:InChIKey=OCASIIDDBJGGAH-UHFFFAOYSA-N
SMILES:S(C1=C(NC(C(OCC)=O)=O)C=CC=C1)C=2N=C(C(F)(F)F)C=CN2
Synonyms:
  • Acetic acid, oxo[[2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]phenyl]amino]-, ethyl ester
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