Cas no 1979-97-1 (2-(Methylthio)-5-nitropyrimidine-4,6-diol)

2-(Methylthio)-5-nitropyrimidine-4,6-diol structure
1979-97-1 structure
Product Name:2-(Methylthio)-5-nitropyrimidine-4,6-diol
CAS No:1979-97-1
MF:C5H5N3O4S
MW:203.175899267197
MDL:MFCD02323207
CID:1033102
PubChem ID:14893043
Update Time:2025-09-22

2-(Methylthio)-5-nitropyrimidine-4,6-diol Chemical and Physical Properties

Names and Identifiers

    • 2-(Methylthio)-5-nitropyrimidine-4,6-diol
    • 2-methylthio-5-nitropyrimidine-4,6-diol
    • C5H5N3O4S
    • 2-methylsulfanyl-5-nitro-1H-pyrimidine-4,6-dione
    • 2-METHYLSULFANYL-5-NITRO-PYRIMIDINE-4,6-DIOL
    • 4,6-Dihydroxy-2-(methylthio)-5-nitro-pyrimidine
    • 4,6dihydroxy-2-methylthio-5-nitropyrimidine
    • 4.6-Dihydroxy-2-methylmercapto-5-nitro-pyrimid
    • AG-C-82346
    • AK119979
    • CTK7B5354
    • SBB093087
    • SureCN1760914
    • 2-(Methylthio)-5-nitropyrimidine-4,6-diol-2
    • 4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one
    • LMCNSMCHUYZUFF-UHFFFAOYSA-N
    • 0186AB
    • FCH1334174
    • AX8245395
    • 2-Methylsulfanyl-5-nitropyrimidine-4,6-diol
    • 4,6-Dihydroxy-2-methylthio-5-nitropyrimidine
    • 4,6-dihydroxy-2-methylthio-5-nitro-pyrimidine
    • 2-(methylsulfanyl)-5-nitropyrimidine-4,6-diol
    • 6-Hydro
    • 6-Hydroxy-2-(methylthio)-5-nitropyrimidin-4(3H)-one
    • DB-346285
    • 6-Hydroxy-2-(methylsulfanyl)-5-nitropyrimidin-4(3H)-one
    • A919542
    • AKOS016010856
    • CS-0150102
    • SCHEMBL1760914
    • 1979-97-1
    • SB60515
    • DTXSID80565046
    • H10101
    • 6-hydroxy-2-(methylsulfanyl)-5-nitro-1H-pyrimidin-4-one
    • MFCD02323207
    • 4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-nitro-
    • MDL: MFCD02323207
    • Inchi: 1S/C5H5N3O4S/c1-13-5-6-3(9)2(8(11)12)4(10)7-5/h1H3,(H2,6,7,9,10)
    • InChI Key: LMCNSMCHUYZUFF-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC(=C(C(N1)=O)[N+](=O)[O-])O

Computed Properties

  • Exact Mass: 203.00015
  • Monoisotopic Mass: 203.00007682g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 329
  • 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: 0.7
  • Topological Polar Surface Area: 133

Experimental Properties

  • PSA: 104.83

2-(Methylthio)-5-nitropyrimidine-4,6-diol Security Information

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