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    CAS 1003-04-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1003-04-9, Dihydrothiophen-3(2h)-one, Thiolan-3-one, 3-thiophanone, Dihydro-3(2h)-thiophenone, 3(2h)-thiophenone, dihydro-
    Molecular Formula
    C4H6OS
    Molecular Weight
    102.16  g/mol
    InChI Key
    DSXFPRKPFJRPIB-UHFFFAOYSA-N
    FDA UNII
    0E9MKH53DV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    thiolan-3-one
    2.1.2 InChI
    InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
    2.1.3 InChI Key
    DSXFPRKPFJRPIB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CSCC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    0E9MKH53DV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1003-04-9

    2. Dihydrothiophen-3(2h)-one

    3. Thiolan-3-one

    4. 3-thiophanone

    5. Dihydro-3(2h)-thiophenone

    6. 3(2h)-thiophenone, Dihydro-

    7. 3-thiacyclopentanone

    8. 3-oxotetrahydrothiophene

    9. 4,5-dihydro-3(2h)-thiophenone

    10. 3-tetrahydrothiophenone

    11. Tetrahydrothiophene-3-one

    12. 3-oxo-2,3,4,5-tetrahydrothiophene

    13. 4,5-dihydro-3(2h)thiophenone

    14. Fema No. 3266

    15. Dihydro-3-(2h)-thiophenone

    16. Nsc 241151

    17. 0e9mkh53dv

    18. Nsc-241151

    19. 3-oxothiolane

    20. Einecs 213-698-9

    21. Unii-0e9mkh53dv

    22. Dihydrothiophen-3(2h);-one

    23. 3-thiolanone

    24. Mfcd00005412

    25. Nsc241151

    26. Dihydrothiophen-3-one

    27. Tetrahydrothien-3-one

    28. Dihydro-thiophen-3-one

    29. Tetrahydrothiopen-3-one

    30. Tetrahydro-thiophen-3-one

    31. Schembl55376

    32. Schembl6194917

    33. Dtxsid9061388

    34. Fema 3266

    35. 3-oxo-2,4,5-tetrahydrothiophene

    36. Amy23378

    37. Zinc4521395

    38. 1,2,3,4-tetrahydrothiophen-3-one

    39. Bbl027522

    40. Stl372727

    41. Akos000120350

    42. 3-oxo-2,3,4, 5-tetrahydrothiophene

    43. Cs-w011310

    44. Hy-w010594

    45. Ps-9308

    46. Sb11977

    47. 4,5-dihydro-3(2h)-thiophenone, 98%

    48. Dihydro-3(2h)thiophenone, 4,5-

    49. D3511

    50. Ft-0624945

    51. En300-21375

    52. 4,5-dihydro-3(2h)thiophenone [fhfi]

    53. 4,5-dihydro-3(2h)-thiophenone, >=98%, Fg

    54. A800092

    55. Q-100017

    56. Q27236669

    57. Dihydro-3-(2h)-thiophenone (tetrahydrothiophen-3-one)

    58. F9995-1306

    59. Dihydro-3-(2h)-thiophenone ; 4,5-dihydro-3(2h)thiophenone ; Dihydrothiophen-3(2h)-one

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 102.16 g/mol
    Molecular Formula C4H6OS
    XLogP30.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass102.01393598 g/mol
    Monoisotopic Mass102.01393598 g/mol
    Topological Polar Surface Area42.4 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity69.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1