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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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