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Also known as: 37052-78-1, 2-mercapto-5-methoxybenzimidazole, 5-methoxy-1h-benzo[d]imidazole-2-thiol, 5-methoxy-2-benzimidazolethiol, 5-methoxy-1h-benzimidazole-2-thiol, 5-methoxy-1,3-dihydrobenzimidazole-2-thione
Molecular Formula
C8H8N2OS
Molecular Weight
180.23  g/mol
InChI Key
KOFBRZWVWJCLGM-UHFFFAOYSA-N
FDA UNII
143562LXX0

CAS 37052-78-1
1 2D Structure

CAS 37052-78-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methoxy-1,3-dihydrobenzimidazole-2-thione
2.1.2 InChI
InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
2.1.3 InChI Key
KOFBRZWVWJCLGM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=C1)NC(=S)N2
2.2 Other Identifiers
2.2.1 UNII
143562LXX0
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 37052-78-1

2. 2-mercapto-5-methoxybenzimidazole

3. 5-methoxy-1h-benzo[d]imidazole-2-thiol

4. 5-methoxy-2-benzimidazolethiol

5. 5-methoxy-1h-benzimidazole-2-thiol

6. 5-methoxy-1,3-dihydrobenzimidazole-2-thione

7. 1,3-dihydro-5-methoxy-2h-benzimidazole-2-thione

8. 5-methoxy-1h-1,3-benzodiazole-2-thiol

9. 2h-benzimidazole-2-thione, 1,3-dihydro-5-methoxy-

10. 2-mercapto-5-methoxy-1h-benzimidazole

11. Mfcd00134581

12. 5-methoxy-1h-benzoimidazole-2-thiol

13. Omeprazole Related Compound B

14. 143562lxx0

15. 5-methoxy-1h-benzo[d]imidazole-2(3h)-thione

16. 5-methoxy-1h-benzo[d]imidazole-2-thiol;5-methoxy-2-mercaptobenzimidazole

17. 5-methoxy-1h-benzo(d)imidazole-2(3h)-thione

18. Unii-143562lxx0

19. Einecs 253-326-2

20. Omeprazole Impurity A

21. Maybridge1_006266

22. Ec 253-326-2

23. 5-methoxy-1,3-dihydro-2h-benzimidazole-2-thione

24. 5-methoxy-2benzimidazolethiol

25. Mls000083176

26. 5-methoxy-2-benzimidazolthiol

27. Schembl916531

28. Chembl1509639

29. Schembl16198394

30. Hms559e18

31. 2-mercapto-5-methoxy-1h-benzim

32. 6-methoxy-2-mercaptobenzimidazole

33. Dtxsid20190558

34. 2-mercpato-5-methoxy Benzimdazole

35. 2-mercapto-5-methoxybenzoimidazole

36. Hms2298p11

37. Zinc389869

38. 2-mercapto-5-methoxy Benzimidazole

39. Act07817

40. Albb-004065

41. Bcp04509

42. 5 -methoxy-2 -mercaptobenzimidazole

43. Ccg-42938

44. Stk506487

45. Stk802141

46. 6-methoxy-1h-benzoimidazole-2-thiol

47. 5-methoxy-2-benzimidazolethiol, 99%

48. Akos000120845

49. Akos002657565

50. Akos023552903

51. 5-methoxy-(1h)-benzimidazole-2-thiol

52. 5-methoxy-2-mercapto-1h-benzimidazole

53. Ab03750

54. Ac-6273

55. Ccg-339969

56. Cs-w008378

57. Hy-w008378

58. Ps-6231

59. Smr000046769

60. Sy018610

61. 5-methoxy-2-thio-1h-benzimidazole

62. 5-methoxybenzo[d]imidazole-2-thiol

63. Db-013211

64. Omeprazole Impurity A [ep Impurity]

65. 5-methoxy-1h-benzimidazol-2-yl Hydrosulfide

66. 5-methoxy-2-thiohydroxy Benzimidazole

67. A6375

68. Am20040306

69. Bb 0240770

70. Ft-0612746

71. M1256

72. Omeprazole Related Compound B [usp-rs]

73. 052m781

74. An-829/05700007

75. Sr-01000534899

76. Sr-01000534899-1

77. Sr-01000534899-3

78. W-202531

79. Omeprazole Magnesium Impurity A [ep Impurity]

80. Q27251572

81. Z221604426

82. Ethyl3-[(1h-pyrrole-2-carbonyl)-amino]propionate

83. Omeprazole Related Compound B, United States Pharmacopeia (usp) Reference Standard

84. 5-methoxy-2- Benzimidazolethiol (omeprazole Related Compound B), Pharmaceutical??secondary??standard;??certified??reference??material

2.4 Create Date
2005-06-29
3 Chemical and Physical Properties
Molecular Weight 180.23 g/mol
Molecular Formula C8H8N2OS
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass180.03573406 g/mol
Monoisotopic Mass180.03573406 g/mol
Topological Polar Surface Area65.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity198
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

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