Cas no 203268-53-5 (2-Hydroxy-4(1H)-pyrimidinethione)

2-Hydroxy-4(1H)-pyrimidinethione structure
203268-53-5 structure
Product Name:2-Hydroxy-4(1H)-pyrimidinethione
CAS No:203268-53-5
MF:C4H4N2OS
MW:128.152359008789
CID:66664
PubChem ID:2734394
Update Time:2025-04-18

2-Hydroxy-4(1H)-pyrimidinethione Chemical and Physical Properties

Names and Identifiers

    • 2-Hydroxy-4(1H)-pyrimidinethione
    • 4(1H)-Pyrimidinethione, 2-hydroxy- (9CI)
    • 2-Hydroxy-4-mercaptopyrimidine
    • AS-54718
    • TD8160
    • FT-0721260
    • 4(3H)-Pyrimidinethione,2-hydroxy-(9ci)
    • 4-sulfanylidene-1H-pyrimidin-2-one
    • CHEMBL1650608
    • 591-28-6
    • 4-Thiouracil, 97%
    • AKOS006229660
    • SB55708
    • SCHEMBL26167
    • Uracil, 4-thio-
    • T2757
    • 203268-53-5
    • Benzenepropanoic acid, 2,4,6-trimethyl-.beta.-oxo-, ethyl ester
    • NSC43288
    • PD017120
    • 3,4-Dihydro-4-thioxo-2(1H)-pyrimidinone
    • 4-Thiouracil
    • W-201773
    • NSC-43288
    • BDBM50335810
    • 4-thioxo-1H-pyrimidin-2-one
    • 2(1H)-pyrimidinone, 3,4-dihydro-4-thioxo-
    • DTXSID50207840
    • 2-Pyrimidinol, 4-mercapto- (9CI)
    • 4-thioxo-3,4-dihydro-2(1H)-pyrimidinone
    • AKOS015995934
    • FT-0619526
    • 4-thiopyrimidin-2-one
    • Q20892040
    • OVONXEQGWXGFJD-UHFFFAOYSA-N
    • 4-mercaptopyrimidin-2-ol
    • LDB
    • SY050615
    • MFCD00090842
    • SCHEMBL10524664
    • KC 135
    • A832178
    • 2-Hydroxypyrimidine-4(1H)-thione
    • 4-sulfanylidene-1~{H}-pyrimidin-2-one
    • AKOS005256998
    • T-3812
    • 203213-14-3
    • InChI=1/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8
    • 203213-13-2
    • NSC 43288
    • GEO-02327
    • AKOS015916356
    • 203213-16-5
    • 2(1H)-Pyrimidinone, 6-mercapto-
    • FT02605
    • 4-sulfanylpyrimidin-2-ol
    • 2-Pyrimidinol, 4-mercapto-
    • DTXCID00130331
    • DB-268942
    • DB-272195
    • STL554902
    • DB-066140
    • 2-Hydroxy-4-thiopyrimidine
    • CHEBI:232485
    • DB-053326
    • BBL101106
    • 4(3H)-Pyrimidinethione, 2-hydroxy-
    • DB-271176
    • 2(1H)-Pyrimidinone, 4-mercapto-
    • CS-W011133
    • 203213-15-4
    • 627-565-1
    • DB-268968
    • Inchi： 1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
    • InChI Key： OVONXEQGWXGFJD-UHFFFAOYSA-N
    • SMILES： S=C1C=CNC(N1)=O

Computed Properties

  • Exact Mass: 128.00400
  • Monoisotopic Mass: 128.00443393g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 163
  • 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: -0.5
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • Density: 1.53
  • Boiling Point: 275 oC
  • Flash Point: 120 oC
  • Refractive Index: 1.677
  • PSA: 81.00000
  • LogP: 0.84480

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