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2D Structure
Also known as: 5034-06-0, Trimethyloxosulphonium chloride, Trimethyloxosulfonium chloride, Sulfoxonium, trimethyl-, chloride, Nsc 221182, Trimethylsulfonium chloride oxide
Molecular Formula
C3H9ClOS
Molecular Weight
128.62  g/mol
InChI Key
KQYWHJICYXXDSQ-UHFFFAOYSA-M
FDA UNII
KV8UUA9PBU

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C3H9OS.ClH/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
2.1.2 InChI Key
KQYWHJICYXXDSQ-UHFFFAOYSA-M
2.1.3 Canonical SMILES
C[S+](=O)(C)C.[Cl-]
2.2 Other Identifiers
2.2.1 UNII
KV8UUA9PBU
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5034-06-0

2. Trimethyloxosulphonium Chloride

3. Trimethyloxosulfonium Chloride

4. Sulfoxonium, Trimethyl-, Chloride

5. Nsc 221182

6. Trimethylsulfonium Chloride Oxide

7. Trimethyl Sulfoxonium Chloride

8. Sulfonium, Trimethyl-, Chloride, S-oxide

9. Einecs 225-724-6

10. Trimethylsulphoxonium Chloride

11. Mfcd00011898

12. Nsc-221182

13. C3h9os.cl

14. Sulfoxonium, Chloride

15. Kv8uua9pbu

16. Trimethyloxosulphoniumchloride

17. Schembl50536

18. Schembl50538

19. C3-h9-o-s.cl

20. Sulfonium, Chloride, S-oxide

21. Kqywhjicyxxdsq-uhfffaoysa-m

22. Bcp33135

23. Ac8170

24. Nsc221182

25. Akos015898768

26. Sy039178

27. Trimethyl(oxo)-lambda-sulfanylium Chloride

28. Ls-148107

29. Cs-0097768

30. Ft-0645583

31. T3794

32. Sulfoxonium, Trimethyl-, Chloride (8ci,9ci)

33. Wln: Os1&1&1 &g &2/10

34. A851126

35. Trimethyl Sulfoxide Chloride;trimethyloxosulphonium Chloride

36. 1-methyl-5-(p-toluoyl)pyrrole-2-acetic Acidsodium Saltdihydrate

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 128.62 g/mol
Molecular Formula C3H9ClOS
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area18.1
Heavy Atom Count6
Formal Charge0
Complexity53
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2