Cas no 62459-06-7 (6-methyl-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-ol)

6-methyl-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-ol structure
62459-06-7 structure
Product Name:6-methyl-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-ol
CAS No:62459-06-7
MF:C8H10N2OS
MW:182.242800235748
CID:444016
PubChem ID:135463751
Update Time:2025-04-19

6-methyl-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-ol Chemical and Physical Properties

Names and Identifiers

    • 4(1H)-Pyrimidinone, 6-methyl-2-(2-propenylthio)-
    • 2-(ALLYLTHIO)-6-METHYLPYRIMIDIN-4-OL
    • 6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one
    • AKOS000546779
    • 62459-06-7
    • F1019-0024
    • 4-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
    • 6-METHYL-2-(PROP-2-EN-1-YLSULFANYL)-3,4-DIHYDROPYRIMIDIN-4-ONE
    • 2-allylthio-6-methyl-4(3h)-pyrimidinone
    • HMS1653M01
    • AKOS002176484
    • DTXSID60365728
    • STK273739
    • AKOS003237829
    • 6-methyl-2-(prop-2-en-1-ylsulfanyl)pyrimidin-4-ol
    • Inchi: 1S/C8H10N2OS/c1-3-4-12-8-9-6(2)5-7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11)
    • InChI Key: JOFZOGAPEWTUMI-UHFFFAOYSA-N
    • SMILES: S(CC=C)C1=NC(C)=CC(N1)=O

Computed Properties

  • Exact Mass: 182.0515
  • Monoisotopic Mass: 182.05138412g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 268
  • 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: 1.2
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 41.46

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