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Also known as: 2818-66-8, 5-amino-2-benzimidazolethiol, 5-amino-1,3-dihydrobenzimidazole-2-thione, 5-amino-1h-benzo[d]imidazole-2-thiol, 2h-benzimidazole-2-thione, 5-amino-1,3-dihydro-, 5-amino-1h-benzimidazole-2-thiol
Molecular Formula
C7H7N3S
Molecular Weight
165.22  g/mol
InChI Key
BXDMTLVCACMNJO-UHFFFAOYSA-N
FDA UNII
98S1PF37NB

CAS 2818-66-8
1 2D Structure

CAS 2818-66-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1,3-dihydrobenzimidazole-2-thione
2.1.2 InChI
InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
2.1.3 InChI Key
BXDMTLVCACMNJO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1N)NC(=S)N2
2.2 Other Identifiers
2.2.1 UNII
98S1PF37NB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2818-66-8

2. 5-amino-2-benzimidazolethiol

3. 5-amino-1,3-dihydrobenzimidazole-2-thione

4. 5-amino-1h-benzo[d]imidazole-2-thiol

5. 2h-benzimidazole-2-thione, 5-amino-1,3-dihydro-

6. 5-amino-1h-benzimidazole-2-thiol

7. 2-benzimidazolethiol, 5-amino-

8. 5-amino-1h-benzoimidazole-2-thiol

9. Mls002637722

10. 98s1pf37nb

11. 6-amino-2-mercaptobenzimidazole

12. Nsc-3984

13. 5-aminobenzimidazole-2-thiol

14. 5-amino-1,3-dihydro-2h-benzimidazole-2-thione

15. 5-amino-1h-benzo(d)imidazole-2-thiol

16. 5-amino-1h-1,3-benzodiazole-2-thiol

17. 5-amino-2-mercapto Benzimidazole

18. Nsc3984

19. 6-amino-1h-benzimidazole-2-thiol

20. Nsc 3984

21. Einecs 220-574-8

22. Mfcd00022671

23. 5-amino-2-benzimidazolthiol

24. Unii-98s1pf37nb

25. Schembl172884

26. 5-amino-2-sulfanylbenzimidazole

27. Chembl1708656

28. Dtxsid3062651

29. Schembl16274672

30. 5-amino-2-mercaptobenzoimidazole

31. Bxdmtlvcacmnjo-uhfffaoysa-

32. 6-amino-1h-benzimidazol-2-thiol

33. Hms3078k03

34. Zinc8581373

35. Stl507219

36. Akos000113234

37. Akos005203108

38. Akos023135097

39. 5-amino-2-mercaptobenzimidazole, 96%

40. Ac-8150

41. As-35838

42. Smr001547244

43. Db-047351

44. 5-amino-1h-benzo[d]imidazole-2(3h)-thione

45. Am20040084

46. Cs-0127298

47. Ft-0619958

48. 2-benzimidazolethiol, 5(or 6)-amino-

49. 2-mercapto-1h-benzo(d)imidazol-5-amine

50. J-016998

51. J-516653

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 165.22 g/mol
Molecular Formula C7H7N3S
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass165.03606841 g/mol
Monoisotopic Mass165.03606841 g/mol
Topological Polar Surface Area82.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
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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