Please Wait
Applying Filters...
menu
    • menu
    Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

    Virtual Booth

    Contact Supplier

    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Sharp is a global leader in pharmaceutical packaging and clinical trial supply services.

    Virtual Booth

    Contact Supplier

    Aspen API. More than just an API.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 145783-12-6

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 145783-12-6, 4-hydroxy-2-propylsulfanyl-1h-pyrimidin-6-one, 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone, S-propyl-2-thiobarbituric acid, 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone; 2-(propylthio)pyrimidine-4,6-diol, 4(1h)-pyrimidinone, 6-hydroxy-2-(propylthio)-
    Molecular Formula
    C7H10N2O2S
    Molecular Weight
    186.23  g/mol
    InChI Key
    JNDANYQUROGPBP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
    2.1.2 InChI
    InChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
    2.1.3 InChI Key
    JNDANYQUROGPBP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCSC1=NC(=CC(=O)N1)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 145783-12-6

    2. 4-hydroxy-2-propylsulfanyl-1h-pyrimidin-6-one

    3. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone

    4. S-propyl-2-thiobarbituric Acid

    5. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone; 2-(propylthio)pyrimidine-4,6-diol

    6. 4(1h)-pyrimidinone, 6-hydroxy-2-(propylthio)-

    7. Schembl1253257

    8. Dtxsid50395534

    9. 2-propylthio-pyrimidine-4,6-diol

    10. Bcp17016

    11. Cs-m3512

    12. Vfa78312

    13. Stl304862

    14. Akos006304397

    15. Akos016844815

    16. 2-(propylsulfanyl)pyrimidine-4,6-diol

    17. Sb56147

    18. 4,6-dihydroxy-2-(propylthio)pyrimidine

    19. 1265919-33-2

    20. Cs-15071

    21. 4,6-dihydroxy-2-(propylsulfanyl)pyrimidine

    22. Db-063626

    23. Eu-0076533

    24. Ft-0755572

    25. C13029

    26. Sr-01000477747

    27. J-008153

    28. Sr-01000477747-1

    29. 6-hydroxy-2-(propylsulfanyl)-3,4-dihydropyrimidin-4-one

    2.2.2 Other Synonyms

    1. 4-hydroxy-2-propylsulfanyl-1h-pyrimidin-6-one

    2. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone

    3. S-propyl-2-thiobarbituric Acid

    4. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone; 2-(propylthio)pyrimidine-4,6-diol

    5. 4,6-dihydroxy-2-(propylsulfanyl)pyrimidine

    6. 1265919-33-2

    2.3 Create Date
    2005-09-10
    3 Chemical and Physical Properties
    Molecular Weight 186.23 g/mol
    Molecular Formula C7H10N2O2S
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area87
    Heavy Atom Count12
    Formal Charge0
    Complexity248
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1