CAS 97963-62-7

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Also known as: 97963-62-7, 5-(difluoromethoxy)-2-mercapto-1h-benzimidazole, 5-(difluoromethoxy)-1h-benzo[d]imidazole-2-thiol, 5-difluoromethoxy-2-mercapto-1h-benzimidazole, 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione, Pantoprazole related compound c

Molecular Formula

C₈H₆F₂N₂OS

Molecular Weight

216.21 g/mol

InChI Key

HJMVPNAZPFZXCP-UHFFFAOYSA-N

FDA UNII

39P59C89NV

1 2D Structure

CAS 97963-62-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione

2.1.2 InChI

InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)

2.1.3 InChI Key

HJMVPNAZPFZXCP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=C1OC(F)F)NC(=S)N2

2.2 Other Identifiers

2.2.1 UNII

39P59C89NV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 97963-62-7

2. 5-(difluoromethoxy)-2-mercapto-1h-benzimidazole

3. 5-(difluoromethoxy)-1h-benzo[d]imidazole-2-thiol

4. 5-difluoromethoxy-2-mercapto-1h-benzimidazole

5. 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione

6. Pantoprazole Related Compound C

7. 5-difluoromethoxy-2-mercaptobenzimidazole

8. 2-mercapto-5-difluoromethoxy Benzimidazole

9. Ska-47

10. 2h-benzimidazole-2-thione, 5-(difluoromethoxy)-1,3-dihydro-

11. 5-(difluoromethoxy)-2-mercaptobenzimidazole

12. 2-mercapto-5-difluoromethoxy-1h-benzimidazole

13. 5-difluormethoxy-2-mercaepto-1h-benzimidazole

14. 39p59c89nv

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

16. 5-(difluoromethoxy)-2-benzimidazolethiol

17. 5-difluoromethoxy-2-thio-benzimidazole

18. 5-(difluoromethoxy)-1h-1,3-benzodiazole-2-thiol

19. Unii-39p59c89nv

20. Mfcd00467504

21. Pantoprazole Related Compound C [usp]

22. Pantoprazole Related Compound C Rs [usp]

23. Schembl482378

24. 5-(difluoromethoxy)-1,3-dihydro-2h-benzimidazole-2-thione

25. Dtxsid80243352

26. Pantoprazole Sodium Sesquihydrate Specified Impurity C [ep]

27. Albb-014405

28. Amy16522

29. Zinc3882895

30. Bbl009927

31. Stk711091

32. Akos005174324

33. Akos028108766

34. Ac-8364

35. Cs-w021039

36. Ps-6955

37. 5-difluoromethoxy-1h-benzimidazole-2-thiol

38. 5-difluoromethoxy-1h-benzoimidazole-2-thiol

39. D3438

40. Ft-0620359

41. Ft-0659956

42. 5-(difluoromethoxy)-1h-benzoimidazole-2-thiol

43. F11378

44. 1h-benzimidazole-2-thiol, 5-(difluoromethoxy)-

45. Pantoprazole Related Compound C [usp-rs]

46. 6-(difluoromethoxy)-1h-1,3-benzodiazole-2-thiol

47. 963d627

48. A845773

49. Ag-996/31082058

50. W-204166

51. Pantoprazole Related Compound C [usp Impurity]

52. Q27256918

53. 5-(difluoromethoxy)-2-mercapto-1h-benzimidazole, 97%

54. 5-(difluoromethoxy)-2,3-dihydro-1h-1,3-benzodiazole-2-thione

55. 5-[bis(fluoranyl)methoxy]-1,3-dihydrobenzimidazole-2-thione

56. Pantoprazole Sodium Sesquihydrate Impurity C [ep Impurity]

57. Pantoprazole Related Compound C, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₈H₆F₂N₂OS
Molecular Weight	216.21 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	216.01689032 g/mol
Monoisotopic Mass	216.01689032 g/mol
Topological Polar Surface Area	65.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	239
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