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Overview of CAS 1633-83-6

Client Email Product
4E0C1CLI2C
PharmaCompass
4E0C1CLI2C
Also known as: 1,4-butane sultone, 1633-83-6, Butane sultone, 1,2-oxathiane, 2,2-dioxide, 1,2-oxathiane 2,2-dioxide, Butanesulfone
Molecular Formula
C4H8O3S
Molecular Weight
136.165  g/mol
InChI Key
MHYFEEDKONKGEB-UHFFFAOYSA-N
FDA UNII
4E0C1CLI2C

1 2D Structure

4E0C1CLI2C

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 Depositor-Supplied Synonyms

1. 1,4-butane Sultone

2. 1633-83-6

3. Butane Sultone

4. 1,2-oxathiane, 2,2-dioxide

5. 1,2-oxathiane 2,2-dioxide

6. Butanesulfone

7. Butanesultone

8. 1,4-butylene Sulfone

9. Oxathiane 2,2-dioxide

10. Delta-valerosultone

11. 1,4-butanesulfone

12. 1(4)-butanesultone

13. .delta.-valerosultone

14. .delta.-butane Sultone

15. Hsdb 5846

16. Einecs 216-647-9

17. Nsc 71999

18. Brn 0110588

19. Mhyfeedkonkgeb-uhfffaoysa-n

20. Nsc71999

21. Mfcd00006584

22. Sbb059317

23. 1,2-oxathiane-2,2-dione

24. Unii-4e0c1cli2c

25. 1,4-butane Sulton

26. 1-4-butane Sultone

27. Wln: T6oswtj

28. Ac1l25ui

29. 4e0c1cli2c

30. Schembl26967

31. 5-19-01-00010 (beilstein Handbook Reference)

32. [1,2]oxathiane 2,2-dioxide

33. Jsp003274

34. Dtxsid4061836

35. 1,2

36. E?-oxathiane-2,2-dione

37. 1,2lambda-oxathiane-2,2-dione

38. 1,4-butane Sultone, >=99%

39. Molport-001-781-861

40. 1,4-butanesultone, 99% 25g

41. Ks-00000c9c

42. Zinc1697391

43. Nsc-71999

44. Akos000120475

45. Cs-w018691

46. Mcule-8722166220

47. Rp20280

48. Aj-30333

49. Ak-49451

50. An-19774

51. As-17326

52. Bc222891

53. He009182

54. Ls-99660

55. Sc-15335

56. U561

57. 4-hydroxybutane-1-sulfonic Acid D-sultone

58. 4-hydroxybutane-1-sulfonic Acid

59. A-sultone

60. B0136

61. Ft-0606816

62. St24032143

63. St51044373

64. M-5555

65. 3,4,5,6-tetrahydro-1,2-oxathiin 2,2-dioxide

66. A810473

67. S09-0115

68. W-107953

69. 3b1-001946

70. F0001-0588

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 136.165 g/mol
Molecular Formula C4H8O3S
XLogP30.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass136.019 g/mol
Monoisotopic Mass136.019 g/mol
Topological Polar Surface Area51.8 A^2
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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