CAS 4083-64-1 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 4083-64-1, P-toluenesulfonyl isocyanate, 4-methylbenzenesulfonyl isocyanate, P-toluenesulphonyl isocyanate, Benzenesulfonyl isocyanate, 4-methyl-, 4-methyl-n-(oxomethylidene)benzenesulfonamide
Molecular Formula
C8H7NO3S
Molecular Weight
197.21  g/mol
InChI Key
VLJQDHDVZJXNQL-UHFFFAOYSA-N
FDA UNII
H9004FJX6V

CAS 4083-64-1
1 2D Structure

CAS 4083-64-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methyl-N-(oxomethylidene)benzenesulfonamide
2.1.2 InChI
InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3
2.1.3 InChI Key
VLJQDHDVZJXNQL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C=O
2.2 Other Identifiers
2.2.1 UNII
H9004FJX6V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4083-64-1

2. P-toluenesulfonyl Isocyanate

3. 4-methylbenzenesulfonyl Isocyanate

4. P-toluenesulphonyl Isocyanate

5. Benzenesulfonyl Isocyanate, 4-methyl-

6. 4-methyl-n-(oxomethylidene)benzenesulfonamide

7. P-toluenesulfonic Acid, Anhydride With Isocyanic Acid

8. P-tolylsulfonyl Isocyanate

9. P-toluenesulfonylisocyanate

10. Ptsi

11. Einecs 223-810-8

12. P-tosyl Isocyanate

13. P-toluene Sulfonyl Isocyanate

14. Dsstox_cid_7558

15. 4-toluenesulfonyl Isocyanate

16. Dsstox_rid_78504

17. Dsstox_gsid_27558

18. H9004fjx6v

19. P-methylphenylsulfonyl Isocyanate

20. 4-methylphenylsulfonyl Isocyanate

21. 4-methylbenzene-1-sulphonyl Isocyanate

22. Tosylisocyanate

23. Cas-4083-64-1

24. Unii-h9004fjx6v

25. Tosnco

26. (4-methylphenyl)sulfonylisocyanate

27. Tsnco

28. 4-methylbenzene-1-sulfonyl Isocyanate

29. P-tolylsulfonyl-isocyanate

30. Sulfone, Isocyanato Tolyl

31. P-toluenesulphonylisocyanate

32. P-toluensulfonyl Isocyanate

33. Ec 223-810-8

34. P-toluene Sulfonylisocyanate

35. P-toluene-sulfonyl Isocyanate

36. Para-toluenesulfonylisocyanate

37. Schembl22302

38. 4-isocyanatosulphonyltoluene,

39. P-toluene Sulphonyl Isocyanate

40. Para-toluene Sulfonylisocyanate

41. 4-toluene-sulphonyl Isocyanate

42. Chembl1879981

43. Dtxsid1027558

44. Vljqdhdvzjxnql-uhfffaoysa-

45. 4-methylphenylsulphonyl Isocyanate

46. Zinc164727

47. 4-methyl-benzenesulfonyl Isocyanate

48. P-toluenesulfonyl Isocyanate, 96%

49. Amy23367

50. Tox21_201698

51. Tox21_303136

52. Bbl011351

53. Mfcd00002030

54. Stl146441

55. Akos000119298

56. Ncgc00164078-01

57. Ncgc00164078-02

58. Ncgc00257105-01

59. Ncgc00259247-01

60. P-methylbenzenesulfonyl Isocyanate

61. Ps-10276

62. Db-049668

63. Ft-0635118

64. T0998

65. 4-methyl-n-(oxo-methylene)-benzenesulfonamide

66. E76074

67. A937481

68. J-524974

69. Q27279783

70. F0001-1154

71. Isocyanic Acid, Anhydride With P-toluenesulfonic Acid

72. P-toluenesulfonyl Isocyanate, For Hplc Derivatization, >=98.0% (hplc)

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 197.21 g/mol
Molecular Formula C8H7NO3S
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass197.01466426 g/mol
Monoisotopic Mass197.01466426 g/mol
Topological Polar Surface Area72 Ų
Heavy Atom Count13
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty