Cas no 54855-79-7 (5,6-dimethyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one)

5,6-dimethyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one structure
54855-79-7 structure
Product Name:5,6-dimethyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
CAS No:54855-79-7
MF:C7H10N2OS
MW:170.232100009918
CID:942981
PubChem ID:135494970
Update Time:2025-04-19

5,6-dimethyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 5,6-dimethyl-2-methylsulfanyl-1h-pyrimidin-4-one
    • 2-Methylthio-4-keto-5,6-dimethylpyrimidin
    • 5,6-dimethyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
    • 5,6-dimethyl-2-(methylthio)pyrimidin-4(3H)-one
    • 5,6-Dimethyl-2-methylmercapto-3H-pyrimidin-4-on
    • 5,6-dimethyl-2-methylsulfanyl-3H-pyrimidin-4-one
    • 5-Methyl-6-hydroxy-4-methyl-2-methylthiopyrimidine
    • AC1L6I1S
    • AC1Q693M
    • CTK5A2669
    • NSC106579
    • ST091628
    • SureCN9879119
    • SureCN9879120
    • G40478
    • MFCD07022814
    • SCHEMBL9879119
    • 54855-79-7
    • DB-196203
    • F2716-0623
    • 5,6-dimethyl-2-(methylsulfanyl)pyrimidin-4-ol
    • 5,6-dimethyl-2-(methylsulfanyl)pyrimidin-4(3H)-one
    • 5,6-dimethyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
    • 4(3H)-Pyrimidinone, 5,6-dimethyl-2-(methylthio)-
    • NSC-106579
    • HMS1632M09
    • STK523437
    • 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
    • CS-0045962
    • 5,6-Dimethyl-2-(methylthio)pyrimidin-4(1H)-one
    • 5,6-Dimethyl-2-(methylthio)-4(3h)-pyrimidinone
    • AKOS021982649
    • EN300-6805325
    • 5,6-DIMETHYL-2-(METHYLSULFANYL)-4(3H)-PYRIMIDINONE
    • AKOS005454423
    • DTXSID10295965
    • Inchi: 1S/C7H10N2OS/c1-4-5(2)8-7(11-3)9-6(4)10/h1-3H3,(H,8,9,10)
    • InChI Key: ZLKSFIQDRGDZCG-UHFFFAOYSA-N
    • SMILES: S(C)C1=NC(C)=C(C)C(N1)=O

Computed Properties

  • Exact Mass: 170.0515
  • Monoisotopic Mass: 170.051
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 255
  • 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: 1
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • Density: 1.25
  • Boiling Point: 268.9°C at 760 mmHg
  • Flash Point: 116.4°C
  • Refractive Index: 1.603
  • PSA: 41.46
  • LogP: 1.10860

5,6-dimethyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one Pricemore >>

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