Cas no 19804-02-5 (2(1H)-Pyrimidinethione,4,5-diamino-3,4-dihydro-4-hydroxy-)

2(1H)-Pyrimidinethione,4,5-diamino-3,4-dihydro-4-hydroxy- structure
19804-02-5 structure
Product Name:2(1H)-Pyrimidinethione,4,5-diamino-3,4-dihydro-4-hydroxy-
CAS No:19804-02-5
MF:C4H8N4OS
MW:160.197518348694
CID:123782
PubChem ID:131850707
Update Time:2025-04-18

2(1H)-Pyrimidinethione,4,5-diamino-3,4-dihydro-4-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Pyrimidinethione,4,5-diamino-3,4-dihydro-4-hydroxy-
    • Uracil, 4,5-diamino-2-thio- (8CI)
    • Uracil, 4,5-diamino-2-thio- (8CI)
    • Uracil,4,5-diamino-2-thio-(8ci)
    • 19804-02-5
    • Inchi: 1S/C4H8N4OS/c5-2-1-7-3(10)8-4(2,6)9/h1,9H,5-6H2,(H2,7,8,10)
    • InChI Key: CAKZNEBPYDCSII-UHFFFAOYSA-N
    • SMILES: S=C1NC=C(C(N)(N1)O)N

Computed Properties

  • Exact Mass: 158.02638
  • Monoisotopic Mass: 160.04188206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 203
  • 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: -2.6
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • PSA: 93.17
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