CAS 29490-19-5

Chemistry

Chemistry

Also known as: 29490-19-5, 5-methyl-1,3,4-thiadiazole-2-thiol, 1,3,4-thiadiazole-2(3h)-thione, 5-methyl-, 5-methyl-3h-1,3,4-thiadiazole-2-thione, 5-methyl-1,3,4-thiadiazole-2(3h)-thione, 9jy8uf0tss

Molecular Formula

C₃H₄N₂S₂

Molecular Weight

132.21 g/mol

InChI Key

FPVUWZFFEGYCGB-UHFFFAOYSA-N

FDA UNII

9JY8UF0TSS

1 2D Structure

CAS 29490-19-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-3H-1,3,4-thiadiazole-2-thione

2.1.2 InChI

InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

2.1.3 InChI Key

FPVUWZFFEGYCGB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NNC(=S)S1

2.2 Other Identifiers

2.2.1 UNII

9JY8UF0TSS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-methyl-1,3,4-thiadiazole-5-thiol

2. Mtdzsh

2.3.2 Depositor-Supplied Synonyms

1. 29490-19-5

2. 5-methyl-1,3,4-thiadiazole-2-thiol

3. 1,3,4-thiadiazole-2(3h)-thione, 5-methyl-

4. 5-methyl-3h-1,3,4-thiadiazole-2-thione

5. 5-methyl-1,3,4-thiadiazole-2(3h)-thione

6. 9jy8uf0tss

7. 2-methyl-1,3,4-thiadiazole-5-thiol

8. Mfcd00038349

9. 5-methyl-1,3,4-thiadiazol-2-thiol

10. 2-methyl-5-mercapto-1,3,4-thiadiazole

11. 5-methyl-1,3,4-thiadiazol-2-thiol (mmtd)

12. D2-1,3,4-thiadiazoline-5-thione, 2-methyl-

13. C3h4n2s2

14. Cefazolin Sodium Imp. E (ep); Cefazolin Imp. E (ep); 5-methyl-1,3,4-thiadiazol-2-thiol; Mmtd; Cefazolin Sodium Impurity E; Cefazolin Impurity E

15. Einecs 249-667-1

16. Ai3-62194

17. Unii-9jy8uf0tss

18. Methylthiadiazole Thiol

19. Schembl349852

20. Dtxsid90183694

21. Bcp21885

22. Stk177285

23. 2-methyl-5-thio-1,3,4-thiadiazole

24. Akos000120548

25. Akos003677653

26. 5-methyl-[1,3,4]thiadiazol-2-thiol

27. 5-methyl-1,3,4-thiadiazole-2-thione

28. 5-methyl-1,3,4-thiadiazolyl-2-thiol

29. Am90361

30. Cs-w013406

31. Ps-6247

32. 5-methyl-[1,3,4]thiadiazole-2-thiol

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

34. 2-methyl-1,3,4-thiadiazoline-5-thione

35. 2-methyl-5-thioxo-1,3,4-thiadiazoline

36. 5-mercapto-2-methyl-1,3,4-thiadiazole

37. 5-methyl-2-mercapto,1,3,4-thiadiazole

38. Ac-13309

39. Pd148020

40. 2-mercapto-5-methyl -1,3,4-thiadiazole

41. Db-047593

42. M0976

43. Ns00028716

44. 5-methyl-1,3,4-thiadiazole-2-thiol, 99%

45. En300-20981

46. D70885

47. 2-mercapto-5-methyl-1,3,4-thiadiazole (mmtd)

48. 5-methyl-1,3,4-thiadiazol-2-yl Hydrosulfide #

49. A819935

50. Cefazolin Sodium Impurity E [ep Impurity]

51. 5-methyl-2,3-dihydro-1,3,4-thiadiazole-2-thione

52. W-106986

53. F9995-0046

54. Z104485716

55. Inchi=1/c3h4n2s2/c1-2-4-5-3(6)7-2/h1h3,(h,5,6

56. 1,3,4-thiadiazole-2(3h)-thione; 5-methyl-1,3,4-thiadiazole-2-thiol

57. 5-methyl-1,3,4-thiadiazole-2-thiol;1,3,4-thiadiazole-2(3h)-thione, 5-methyl-

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₃H₄N₂S₂
Molecular Weight	132.21 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	81.8
Heavy Atom Count	7
Formal Charge	0
Complexity	129
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

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