MolPort-001-766-715

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Also known as: 1774-47-6, Trimethylsulphoxonium iodide, Trimethyloxosulfonium iodide, Trimethyloxosulphonium iodide, Sulfoxonium, trimethyl-, iodide, Mfcd00011899

Molecular Formula

C₃H₉IOS

Molecular Weight

220.07 g/mol

InChI Key

BPLKQGGAXWRFOE-UHFFFAOYSA-M

1 2D Structure

MolPort-001-766-715

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1

2.1.2 InChI Key

BPLKQGGAXWRFOE-UHFFFAOYSA-M

2.1.3 Canonical SMILES

C[S+](=O)(C)C.[I-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1774-47-6

2. Trimethylsulphoxonium Iodide

3. Trimethyloxosulfonium Iodide

4. Trimethyloxosulphonium Iodide

5. Sulfoxonium, Trimethyl-, Iodide

6. Mfcd00011899

7. Sulfoxonium, Trimethyl-, Iodide (1:1)

8. Trimethylsulfoxoniumiodide

9. Trimethyl Sulphoxonium Ioidie

10. S,s,s-trimethylsulfoxonium Iodide

11. Einecs 217-204-2

12. Nsc 71213

13. Sulfonium, Trimethyl-, Iodide, Oxide

14. Sulfoxonium, Iodide

15. Trimethysulfoxonium Iodide

16. Sulfonium, Iodide, Oxide

17. Trimehylsulphoxonium Iodide

18. Ec 217-204-2

19. Tri-methylsulfoxonium Iodide

20. Trimethyl Sulfoxonium Iodide

21. Trimethyl-sulfoxonium Iodide

22. Schembl2584

23. Schembl2586

24. Trimethyl Sulphoxonium Iodide

25. Trimethyl-oxosulfonium Iodide

26. Trimethyloxo Sulfonium Iodide

27. Trimethyl-sulphoxonium Iodide

28. Trimethyl Oxosulphonium Iodide

29. Tri-methyl-oxosulphonium Iodide

30. Trimethyl-sulfoniumoxide Iodide

31. S,s-trimethylsulfoxonium Iodide

32. Trimethyl(oxo)-sulfanylium Iodide

33. Dtxsid001014581

34. Act04864

35. Amy24038

36. Bcp13230

37. Nsc71213

38. Trimethyl?sulfoxonium?iodide(tmsoi)

39. Ac7850

40. Nsc-71213

41. Trimethyl(oxo)-??-sulfanylium Iodide

42. Wln: Os1&1&1 &q &i

43. Akos015833276

44. Cs-w018549

45. Trimethyl(oxo)-gamma-sulfanylium Iodide

46. As-12135

47. Sy002188

48. Db-044297

49. Ft-0633832

50. T1065

51. J-200120

52. J-650228

53. Q15427957

54. F0001-0645

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃H₉IOS
Molecular Weight	220.07 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	219.94188 g/mol
Monoisotopic Mass	219.94188 g/mol
Topological Polar Surface Area	18.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	53
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	2