Cas no 349486-72-2 (4,6(1H,5H)-Pyrimidinedione,dihydro-5-[[(2-hydroxyethyl)amino]methylene]-2-thioxo-)

4,6(1H,5H)-Pyrimidinedione,dihydro-5-[[(2-hydroxyethyl)amino]methylene]-2-thioxo- structure
349486-72-2 structure
Product Name:4,6(1H,5H)-Pyrimidinedione,dihydro-5-[[(2-hydroxyethyl)amino]methylene]-2-thioxo-
CAS No:349486-72-2
MF:C7H9N3O3S
MW:215.229659795761
CID:302789
Update Time:2024-01-27

4,6(1H,5H)-Pyrimidinedione,dihydro-5-[[(2-hydroxyethyl)amino]methylene]-2-thioxo- Chemical and Physical Properties

Names and Identifiers

    • 4,6(1H,5H)-Pyrimidinedione,dihydro-5-[[(2-hydroxyethyl)amino]methylene]-2-thioxo-
    • 4,6(1H,5H)-Pyrimidinedione, dihydro-5-[[(2-hydroxyethyl)amino]methylene]-2-thioxo- (9CI)
    • Inchi: 1S/C7H9N3O3S/c11-2-1-8-3-4-5(12)9-7(14)10-6(4)13/h3,8,11H,1-2H2,(H2,9,10,12,13,14)
    • InChI Key: DYJYZWSJNDGLIW-UHFFFAOYSA-N
    • SMILES: C1(=S)NC(=O)/C(=C/NCCO)/C(=O)N1

Computed Properties

  • Exact Mass: 215.036
  • Monoisotopic Mass: 215.036
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 291
  • 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
  • Topological Polar Surface Area: 123A^2
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