Cas no 339015-99-5 (4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine)

4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine structure
339015-99-5 structure
Product Name:4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
CAS No:339015-99-5
MF:C11H8ClFN2S2
MW:286.776021957397
CID:5695880
PubChem ID:1484269
Update Time:2023-10-14

4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • AKOS005099741
    • 4-chloro-6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidine
    • 7L-809
    • 4-chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
    • 339015-99-5
    • Pyrimidine, 4-chloro-6-[(4-fluorophenyl)thio]-2-(methylthio)-
    • 4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
    • Inchi: 1S/C11H8ClFN2S2/c1-16-11-14-9(12)6-10(15-11)17-8-4-2-7(13)3-5-8/h2-6H,1H3
    • InChI Key: PRORDBKKBLUMBF-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=NC(=N1)SC)SC1C=CC(=CC=1)F

Computed Properties

  • Exact Mass: 285.9801465g/mol
  • Monoisotopic Mass: 285.9801465g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 240
  • 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: 4.5
  • Topological Polar Surface Area: 76.4?2

Experimental Properties

  • Density: 1.46±0.1 g/cm3(Predicted)
  • Boiling Point: 431.6±40.0 °C(Predicted)
  • pka: -3.56±0.39(Predicted)

4-Chloro-6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)pyrimidine Pricemore >>

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