Cas no 149771-12-0 (Ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate)

Ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate structure
149771-12-0 structure
Product Name:Ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CAS No:149771-12-0
MF:C9H9F3N2O2S
MW:266.240171194077
CID:1322378
PubChem ID:10468091
Update Time:2025-04-20

Ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
    • ETHYL 4-(TRIFLUOROMETHYL)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
    • ethyl 4-trifluoromethyl-2-methylthio-5-pyrimidinecarboxylate
    • BUTTPARK 17916-28
    • BUTTPARK 179\16-28
    • C9H9F3N2O2S
    • UGTPXLQYOPJVTK-UHFFFAOYSA-N
    • CS-0079030
    • 2-methylthio-4-trifluoromethylpyrimidine-5-carboxylic acid ethyl ester
    • Ethyl 2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carboxylate
    • J-520647
    • AKOS023116402
    • ETHYL2-(METHYLTHIO)-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE
    • 149771-12-0
    • Ethyl 2-methylthio-4-(trifluoromethyl)pyrimidine-5-carboxylate
    • SCHEMBL26333855
    • Ethyl 2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
    • Inchi: 1S/C9H9F3N2O2S/c1-3-16-7(15)5-4-13-8(17-2)14-6(5)9(10,11)12/h4H,3H2,1-2H3
    • InChI Key: UGTPXLQYOPJVTK-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC=C(C(=O)OCC)C(C(F)(F)F)=N1

Computed Properties

  • Exact Mass: 266.03400
  • Monoisotopic Mass: 266.03368319g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 276
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 77.4?2

Experimental Properties

  • PSA: 77.38000
  • LogP: 2.39400

Ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate Pricemore >>

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