Cas no 35455-79-9 (5-Methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one)

5-Methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one structure
35455-79-9 structure
Product Name:5-Methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
CAS No:35455-79-9
MF:C5H6N2OS
MW:142.178939342499
MDL:MFCD27996854
CID:295639
PubChem ID:5324560
Update Time:2025-04-19

5-Methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
    • 2(1H)-Pyrimidinone,3,4-dihydro-5-methyl-4-thioxo-
    • 2-Oxo-4-mercapto-5-methylpyrimidine
    • 4-Thio-5-methylpyrimidin-2-one
    • 4-Thiothymine
    • 5-Methyl-4-thiouracil
    • Thymine,4-thio- (7CI,8CI)
    • 5-methyl-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone
    • FT-0701093
    • SB56087
    • InChI=1/C5H6N2OS/c1-3-2-6-5(8)7-4(3)9/h2H,1H3,(H2,6,7,8,9
    • 5-methyl-4-thioxo-1H-pyrimidin-2-one
    • AKOS006349312
    • SCHEMBL19363733
    • BS-53059
    • SCHEMBL65835
    • 35455-79-9
    • SCHEMBL10402389
    • 5-methyl-4-sulfanylidene-1H-pyrimidin-2-one
    • 2(1H)-pyrimidinone, 3,4-dihydro-5-methyl-4-thioxo-
    • 2(1H)-Pyrimidinone, 3,4-dihydro-5-methyl-4-thioxo- (9CI)
    • DB-280462
    • MDL: MFCD27996854
    • Inchi: 1S/C5H6N2OS/c1-3-2-6-5(8)7-4(3)9/h2H,1H3,(H2,6,7,8,9)
    • InChI Key: GSPMCUUYNASDHM-UHFFFAOYSA-N
    • SMILES: S=C1C(C)=CNC(N1)=O

Computed Properties

  • Exact Mass: 142.02018
  • Monoisotopic Mass: 142.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 197
  • 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
  • Topological Polar Surface Area: 73.2A^2

Experimental Properties

  • PSA: 41.13

5-Methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one Pricemore >>

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