Cas no 14080-20-7 (Pyrimidine,4-(methylsulfinyl)-)

Pyrimidine,4-(methylsulfinyl)- structure
14080-20-7 structure
Product Name:Pyrimidine,4-(methylsulfinyl)-
CAS No:14080-20-7
MF:C5H6N2OS
MW:142.178939342499
CID:120134
PubChem ID:21766151
Update Time:2025-04-18

Pyrimidine,4-(methylsulfinyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine,4-(methylsulfinyl)-
    • Pyrimidine, 4-(methylsulfinyl)- (8CI)
    • SCHEMBL11278952
    • 14080-20-7
    • 4-methylsulfinylpyrimidine
    • Inchi: 1S/C5H6N2OS/c1-9(8)5-2-3-6-4-7-5/h2-4H,1H3
    • InChI Key: LEGJRLXMYHVXFF-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CN=CN=1)=O

Computed Properties

  • Exact Mass: 142.02018
  • Monoisotopic Mass: 142.02008399g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 62.1?2

Experimental Properties

  • PSA: 42.85

Pyrimidine,4-(methylsulfinyl)- Related Literature

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