CAS 24057-28-1

Chemistry, 2 End Use API, 4 Related Intermediates

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Also known as: Ppts, Pyridin-1-ium 4-methylbenzenesulfonate, Pyridinium tosylate, Pyridinium-p-toluenesulfonate, Pyridinium para-toluenesulfonate, P-toluenesulfonic acid pyridine salt

Molecular Formula

C₁₂H₁₃NO₃S

Molecular Weight

251.30 g/mol

InChI Key

ZDYVRSLAEXCVBX-UHFFFAOYSA-N

1 2D Structure

CAS 24057-28-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methylbenzenesulfonate;pyridin-1-ium

2.1.2 InChI

InChI=1S/C7H8O3S.C5H5N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-6-5-3-1/h2-5H,1H3,(H,8,9,10);1-5H

2.1.3 InChI Key

ZDYVRSLAEXCVBX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[NH+]C=C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ppts

2. Pyridin-1-ium 4-methylbenzenesulfonate

3. Pyridinium Tosylate

4. Pyridinium-p-toluenesulfonate

5. Pyridinium Para-toluenesulfonate

6. P-toluenesulfonic Acid Pyridine Salt

7. Pyridinium P-toluene Sulphonate

8. 4-toluenesulfonicacidpyridiniumsalt

9. 4-methylbenzenesulfonate;pyridin-1-ium

10. 14265-88-4

11. Pyridinium 4-methylbenzenesulfonate

12. Pyridinium P-toluene Sulfonate

13. Pyridiniumtosylate

14. Pyridine Tosylate

15. Pyridine P-toluenesulphonate

16. Pyridinium P-toluenesufonate

17. Pyridinium P-toluenesulfonat

18. Pyridinium P-toluensulfonate

19. Pyridinium 4-toluensulfonate

20. Pyridiniump-toluenesulphonate

21. Pyridiniump-toluene Sulfonate

22. Pyridinium 4-tolyl Sulfonate

23. Pyridinium-toluene4-sulfonate

24. Schembl20958

25. Pyridine Toluene-4-sulphonate

26. Pyridinium P-toluenesulfonates

27. Pyridinium P-toluenesulphonate

28. Pyridiniurn P-toluenesulfonate

29. Pyridine Toluene 4-sulphonate

30. Pyridinium 4-toluenesulphonate

31. Pyridinium Paratoluenesulfonate

32. Pyridinium Toluene-p-sulfonate

33. Pyridinium-p-toluene Sulfonate

34. Pyridinium P-toluene-sulfonate

35. Pyridinium Para-toluensulfonate

36. Pyridinium Rho-toluenesulfonate

37. Pyridiniumpara-toluenesulfonate

38. P-toluenesulfonic Acid Pyridine

39. Pyrdinium Para-toluenesulfonate

40. Pyridine P-toluenesulfonic Acid

41. Pyridinium 4-toluene-sulfonate

42. Pyridinium P-toluene-sulphonate

43. Pyridinium Toluene-4-sulfonate

44. Pyridinium Paratoluene Sulfonate

45. Pyridinium P - Toluenesulfonate

46. Pyridinium Para-toluene Sulfonate

47. Pyridinium (toluene-4-sulfonate)

48. Pyridinium P-toluenesulfonate Salt

49. Pyridinium-(toluene-4-sulfonate)

50. Pyridine 4-methylbenzene Sulfonate

51. Pyridinium (toluene-4-sulphonate)

52. Pyridinium Para-toluene Sulphonate

53. Pyridinium P-toluenesulfonate (ppts)

54. P-toluene Sulfonic Acid Pyridine Salt

55. P-toluenesulfonic Acid Pyridinium Salt

56. 4-methylbenzenesulfonic Acid; Pyridine

57. Akos015891539

58. 4-toluenesulphonic Acid Pyridinium Salt

59. 4-toluene Sulphonic Acid Pyridinium Salt

60. Sy005668

61. Toluene-4-sulfonate1,2-dihydro-pyridinium

62. Ft-0619532

63. P0942

64. A817066

65. J-610007

66. Q-201643

67. Pyridinium P-toluenesulfonate;pyridinium P-toluene Sulfonate (ppts)

68. Pyridinium P-toluenesulfonate Polymer-bound, Extent Of Labeling: ~3.5 Mmol/g Toluene 4-sulfonate Loading

2.3 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₃NO₃S
Molecular Weight	251.30 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	251.06161445 g/mol
Monoisotopic Mass	251.06161445 g/mol
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	224
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

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