Cas no 35463-39-9 (4(1H)-Pyrimidinone, 2,3-dihydro-5-hydroxy-6-methyl-2-thioxo-)

4(1H)-Pyrimidinone, 2,3-dihydro-5-hydroxy-6-methyl-2-thioxo- structure
35463-39-9 structure
Product Name:4(1H)-Pyrimidinone, 2,3-dihydro-5-hydroxy-6-methyl-2-thioxo-
CAS No:35463-39-9
MF:C5H6N2O2S
MW:158.178339481354
CID:292554
PubChem ID:20106583
Update Time:2025-04-19

4(1H)-Pyrimidinone, 2,3-dihydro-5-hydroxy-6-methyl-2-thioxo- Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone, 2,3-dihydro-5-hydroxy-6-methyl-2-thioxo-
    • 5-hydroxy-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
    • DTXSID20602545
    • 5-Hydroxy-6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
    • 5-Hydroxy-6-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
    • 35463-39-9
    • SCHEMBL11729501
    • Inchi: 1S/C5H6N2O2S/c1-2-3(8)4(9)7-5(10)6-2/h8H,1H3,(H2,6,7,9,10)
    • InChI Key: KJWXRLAWLMJXMI-UHFFFAOYSA-N
    • SMILES: S=C1NC(C(=C(C)N1)O)=O

Computed Properties

  • Exact Mass: 158.01508
  • Monoisotopic Mass: 158.01499861g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 234
  • 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: -0.1
  • Topological Polar Surface Area: 93.4?2

Experimental Properties

  • PSA: 61.36
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