CAS 1633-83-6

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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

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 Formula	C₄H₈O₃S
Molecular Weight	136.17 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	136.01941529 g/mol
Monoisotopic Mass	136.01941529 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1