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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

CAS 1633-83-6
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

BUILDING BLOCK

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