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    CAS 1633-83-6
    Also known as: 1633-83-6, 1,4-butanesultone, Butane sultone, 1,2-oxathiane, 2,2-dioxide, 1,2-oxathiane 2,2-dioxide, Oxathiane 2,2-dioxide
    Molecular Formula
    C4H8O3S
    Molecular Weight
    136.17  g/mol
    InChI Key
    MHYFEEDKONKGEB-UHFFFAOYSA-N
    FDA UNII
    4E0C1CLI2C
    1 2D Structure

    CAS 1633-83-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    oxathiane 2,2-dioxide
    2.1.2 InChI
    InChI=1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2
    2.1.3 InChI Key
    MHYFEEDKONKGEB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCS(=O)(=O)OC1
    2.2 Other Identifiers
    2.2.1 UNII
    4E0C1CLI2C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Butanesultone

    2.3.2 Depositor-Supplied Synonyms

    1. 1633-83-6

    2. 1,4-butanesultone

    3. Butane Sultone

    4. 1,2-oxathiane, 2,2-dioxide

    5. 1,2-oxathiane 2,2-dioxide

    6. Oxathiane 2,2-dioxide

    7. Butanesulfone

    8. Butanesultone

    9. .delta.-valerosultone

    10. 1,4-butylene Sulfone

    11. .delta.-butane Sultone

    12. Mfcd00006584

    13. 4e0c1cli2c

    14. Nsc71999

    15. Nsc-71999

    16. 1(4)-butanesultone

    17. Delta-valerosultone

    18. 1,4-butanesulfone

    19. Hsdb 5846

    20. Einecs 216-647-9

    21. Nsc 71999

    22. Unii-4e0c1cli2c

    23. Brn 0110588

    24. 1,4-butane Sulton

    25. 1-4-butane Sultone

    26. Wln: T6oswtj

    27. Schembl26967

    28. 5-19-01-00010 (beilstein Handbook Reference)

    29. [1,2]oxathiane 2,2-dioxide

    30. Dtxsid4061836

    31. 1,4-butane Sultone, >=99%

    32. Bcp23575

    33. Zinc1697391

    34. 1,4-butane Sultone [hsdb]

    35. Akos000120475

    36. Cs-w018691

    37. As-17326

    38. Bp-31154

    39. Sy006382

    40. 4-hydroxybutane-1-sulfonic Acid D-sultone

    41. B0136

    42. Ft-0606816

    43. 4-hydroxybutane-1-sulfonic Acid Delta-sultone

    44. 3,4,5,6-tetrahydro-1,2-oxathiin 2,2-dioxide

    45. A810473

    46. W-107953

    47. Q27259464

    48. F0001-0588

    49. 1-butanesulfonic Acid, 4-hydroxy-, .delta.-sultone

    50. N1-acetyl-2-chloro-5-nitrobenzene-1-carbohydrazide

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 136.17 g/mol
    Molecular Formula C4H8O3S
    XLogP30.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass136.01941529 g/mol
    Monoisotopic Mass136.01941529 g/mol
    Topological Polar Surface Area51.8 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity153
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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