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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

CAS 24057-28-1
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 Weight 251.30 g/mol
Molecular Formula C12H13NO3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass251.06161445 g/mol
Monoisotopic Mass251.06161445 g/mol
Topological Polar Surface Area79.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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