CAS 1189-71-5

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Also known as: 1189-71-5, Sulfuryl chloride isocyanate, Chlorosulfonylisocyanate, Sulfurisocyanatidic chloride, Chlorosulphonyl isocyanate, N-carbonylsulfamyl chloride

Molecular Formula

CClNO₃S

Molecular Weight

141.53 g/mol

InChI Key

WRJWRGBVPUUDLA-UHFFFAOYSA-N

FDA UNII

2903Y990SM

1 2D Structure

CAS 1189-71-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(oxomethylidene)sulfamoyl chloride

2.1.2 InChI

InChI=1S/CClNO3S/c2-7(5,6)3-1-4

2.1.3 InChI Key

WRJWRGBVPUUDLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(=NS(=O)(=O)Cl)=O

2.2 Other Identifiers

2.2.1 UNII

2903Y990SM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1189-71-5

2. Sulfuryl Chloride Isocyanate

3. Chlorosulfonylisocyanate

4. Sulfurisocyanatidic Chloride

5. Chlorosulphonyl Isocyanate

6. N-carbonylsulfamyl Chloride

7. N-(oxomethylidene)sulfamoyl Chloride

8. N-chlorosulfonyl Isocyanate

9. Chlorsulfonyl Isocyanate

10. [(chlorosulfonyl)imino]methanone

11. Sulfurisocyanatidoyl Chloride

12. 2903y990sm

13. Cclno3s

14. Unii-2903y990sm

15. N-(oxomethylene)sulfamoyl Chloride

16. Einecs 214-715-2

17. Mfcd00011608

18. Chlorsulfonylisocyanate

19. Clso2nco

20. Chlorosufonyl Isocyanate

21. Chlorosulfonyl Isocynate

22. Chlorosulphonylisocyanate

23. Chlorosulfonyl-isocyanate

24. Chloro Sulfonyl Isocyanate

25. Chloro-sulfonyl Isocyanate

26. Chlorosulfonyl- Isocyanate

27. Chloro-sulfonyl-isocyanate

28. Chloro Sulphonyl Isocyanate

29. Isocyanatosulphuryl Chloride

30. Ec 214-715-2

31. Sulfonyl Chloride Isocyanate

32. Sulfonyl Isocyanate Chloride

33. Chlorosulfonyl Isocyanic Acid

34. Isocyanatidosulfuryl Chloride

35. Sulphonyl Isocyanate Chloride

36. N-carbonylsulphamoyl Chloride

37. Schembl17487

38. Sulfuryl-chloride-isocyanate-

39. Isocyanatidosulfuryl Chloride #

40. Chlorosulfonyl Isocyanate, 98%

41. Dtxsid0061585

42. Bbl027786

43. Stl372703

44. Akos009028878

45. Zinc100006942

46. At27290

47. Db-041434

48. Ft-0601127

49. N-(oxidanylidenemethylidene)sulfamoyl Chloride

50. A804136

51. J-003985

52. J-520039

53. Q8214963

54. Chlorosulfuric Acid, Anhydride With Isocyanic Acid

55. F0001-0303

56. Isocyanic Acid, Anhydride With Chlorosulfonic Acid

57. Chlorosulfonyl Isocyanate, Lonza Quality, 99.0-100.3% (w/w) (t)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	CClNO₃S
Molecular Weight	141.53 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	140.9287417 g/mol
Monoisotopic Mass	140.9287417 g/mol
Topological Polar Surface Area	72 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	182
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

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