Cas no 2792-47-4 (2,4(1H,3H)-Pyrimidinedione,5-methyl-, labeled with tritium (9CI))

2,4(1H,3H)-Pyrimidinedione,5-methyl-, labeled with tritium (9CI) structure
2792-47-4 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-methyl-, labeled with tritium (9CI)
CAS No:2792-47-4
MF:C5H6N2O2
MW:126.11334
CID:271435

2,4(1H,3H)-Pyrimidinedione,5-methyl-, labeled with tritium (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,5-methyl-, labeled with tritium (9CI)
    • [3H]Methylthymine
    • Thymine-t
    • Inchi: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
    • InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N
    • SMILES: O=C1NC=C(C)C(=O)N1

Computed Properties

  • Exact Mass: 126.042927
  • Monoisotopic Mass: 126.042927
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 195
  • 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: _0.6
  • Topological Polar Surface Area: 58.2
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