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2D Structure
Also known as: Refchem:502441, 30165-97-0, 4-morpholino-1,2,5-thiadiazol-3-ol, 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-ol, 4-morpholin-4-yl-1,2,5-thiadiazol-3-ol, Mfcd01820806
Molecular Formula
C6H9N3O2S
Molecular Weight
187.22  g/mol
InChI Key
DWUZILHYAJBUBR-UHFFFAOYSA-N
FDA UNII
9OQD3RT10O

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-morpholin-4-yl-1,2,5-thiadiazol-3-one
2.1.2 InChI
InChI=1S/C6H9N3O2S/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4H2,(H,8,10)
2.1.3 InChI Key
DWUZILHYAJBUBR-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
9OQD3RT10O
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Refchem:502441

2. 30165-97-0

3. 4-morpholino-1,2,5-thiadiazol-3-ol

4. 4-(morpholin-4-yl)-1,2,5-thiadiazol-3-ol

5. 4-morpholin-4-yl-1,2,5-thiadiazol-3-ol

6. Mfcd01820806

7. 4-morpholin-4-yl-1,2,5-thiadiazol-3-one

8. Timolol Ep Impurity D

9. 1,2,5-thiadiazol-3(2h)-one, 4-(4-morpholinyl)-

10. 1,2,5-thiadiazol-3-ol, 4-morpholino-

11. 3-morpholino-4-hydroxy-1,2,5-thiadiazole

12. 9oqd3rt10o

13. 3-hydroxy-4-morpholino-1,2,5-thiazole

14. 3-hydroxy-4-morpholino-1,2,5-thiazole;4-morpholino-1,2,5-thiadiazol-3-ol

15. Unii-9oqd3rt10o

16. Timolol Maleate Specified Impurity D [ep]

17. Chemdiv2_002256

18. Oprea1_464928

19. Mls001002071

20. Timolol Maleate Ep Impurity D

21. Schembl1587527

22. Chembl1082515

23. Dwuzilhyajbubr-uhfffaoysa-

24. Dtxsid10184249

25. Dwuzilhyajbubr-uhfffaoysa-n

26. Hms1375g12

27. Hms2688n06

28. Ebc-14729

29. Sbb000266

30. Stk675866

31. Akos001060909

32. Akos005593909

33. Ps-6157

34. Smr000368186

35. St016620

36. Sy131713

37. Db-068234

38. 4-(4-morpholinyl)-1,2,5-thiadiazol-3-ol

39. 4-morpholino-1,2,5-thiadiazol-3(2h)-one

40. Cs-0187044

41. Eu-0018774

42. En300-05872

43. 4-(4-morpholinyl)-1,2,5-thiadiazol-3-ol #

44. D97515

45. Timolol Maleate Impurity D [ep Impurity]

46. 4-(4-morpholinyl)-1,2,5-thiadiazol-3(2h)-one

47. Ag-205/13185008

48. Sr-01000526363

49. 4-(morpholin-4-yl)-1,2,5-thiadiazol-3(2h)-one

50. Sr-01000526363-1

51. Q27272837

52. Z56928893

53. Inchi=1/c6h9n3o2s/c10-6-5(7-12-8-6)9-1-3-11-4-2-9/h1-4h2,(h,8,10)

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 187.22 g/mol
Molecular Formula C6H9N3O2S
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area79.2
Heavy Atom Count12
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1