CAS 32873-56-6

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Also known as: 32873-56-6, 2-acetamido-5-mercapto-1,3,4-thiadiazole, N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide, N-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide, Acetazolamide impurity c, N-(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)acetamide

Molecular Formula

C₄H₅N₃OS₂

Molecular Weight

175.2 g/mol

InChI Key

DWSMAMSVZRCQMP-UHFFFAOYSA-N

FDA UNII

6B8475348K

1 2D Structure

CAS 32873-56-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide

2.1.2 InChI

InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)

2.1.3 InChI Key

DWSMAMSVZRCQMP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC1=NNC(=S)S1

2.2 Other Identifiers

2.2.1 UNII

6B8475348K

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 32873-56-6

2. 2-acetamido-5-mercapto-1,3,4-thiadiazole

3. N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide

4. N-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide

5. Acetazolamide Impurity C

6. N-(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)acetamide

7. Mls002703417

8. Chembl382111

9. {n}-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide

10. Eamtd:2-acetylamino-5-mercapto-1,3,4-thiadiazole

11. Nsc-97893

12. 6b8475348k

13. Acetamide, N-(5-mercapto-1,3,4-thiadiazol-2-yl)-

14. N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

15. Unii-6b8475348k

16. Nsc97893

17. Einecs 251-275-0

18. N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)acetamide

19. N-(5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

20. Nciopen2_001881

21. N-(5-mercapto-[1,3,4]thiadiazol-2-yl)-acetamide

22. Schembl8246439

23. Dtxsid00186535

24. Acetamide,n-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-

25. Bcp33861

26. Zinc2582015

27. Bdbm50165745

28. Mfcd00128160

29. Nsc 97893

30. Stl197915

31. Akos000297161

32. Ac-5578

33. 5-acetamido-2-thiol-1,3,4-thiadiazole

34. Am803704

35. As-10839

36. Smr001570136

37. Db-020342

38. 5-acetylamino-1,3,4-thiadiazoline-2-thione

39. 5-acetylamino-2-mercapto-1,3,4-thiadiazole

40. Ft-0639064

41. 5-(acetylamino)-1,3,4-thiadiazole-2-thiol

42. Acetazolamide Impurity C [ep Impurity]

43. En300-26971

44. W10680

45. Mercaptothiadiazole Analog [usp Impurity]

46. 2-acetamido-5-mercapto-1,3,4-thiadiazole-[d3]

47. A821479

48. 1,3,4-thiadiazole-2-thiol, 5-acetamido-

49. J-018911

50. Q27264444

51. 2-(acetylamino)-1,3,4-thiadiazol-5-mercaptan

52. F0326-0071

53. Acetamide, N-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-

54. N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide, Aldrichcpr

55. N-(2-thioxo-3h-1,3,4-thiadiazol-5-yl)acetamide;n-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₅N₃OS₂
Molecular Weight	175.2 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	174.98740414 g/mol
Monoisotopic Mass	174.98740414 g/mol
Topological Polar Surface Area	111 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	213
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