Cas no 61640-54-8 (Pyrimidine, 4,6-diethyl-2-(methylthio)-)

Pyrimidine, 4,6-diethyl-2-(methylthio)- structure
61640-54-8 structure
Product Name:Pyrimidine, 4,6-diethyl-2-(methylthio)-
CAS No:61640-54-8
MF:C9H14N2S
MW:182.285860538483
CID:471708
PubChem ID:12343181
Update Time:2025-04-19

Pyrimidine, 4,6-diethyl-2-(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 4,6-diethyl-2-(methylthio)-
    • 4,6-diethyl-2-methylsulfanylpyrimidine
    • 61640-54-8
    • DTXSID90492399
    • 4,6-Diethyl-2-(methylsulfanyl)pyrimidine
    • SCHEMBL5354380
    • Inchi: 1S/C9H14N2S/c1-4-7-6-8(5-2)11-9(10-7)12-3/h6H,4-5H2,1-3H3
    • InChI Key: YFFYMXJJPXPAOX-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC(=CC(CC)=N1)CC

Computed Properties

  • Exact Mass: 182.08792
  • Monoisotopic Mass: 182.08776963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 118
  • 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: 2.7
  • Topological Polar Surface Area: 51.1?2

Experimental Properties

  • PSA: 25.78
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