CAS 2818-66-8

Chemistry, 1 End Use API, 5 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

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

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 Formula	C₇H₇N₃S
Molecular Weight	165.22 g/mol
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	165.03606841 g/mol
Monoisotopic Mass	165.03606841 g/mol
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183
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