CAS 108-33-8

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Also known as: 108-33-8, 5-methyl-1,3,4-thiadiazol-2-amine, 2-amino-5-methylthiadiazole, 1,3,4-thiadiazol-2-amine, 5-methyl-, Usaf cy-3, 5-methyl-[1,3,4]thiadiazol-2-ylamine

Molecular Formula

C₃H₅N₃S

Molecular Weight

115.16 g/mol

InChI Key

HMPUHXCGUHDVBI-UHFFFAOYSA-N

1 2D Structure

CAS 108-33-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-1,3,4-thiadiazol-2-amine

2.1.2 InChI

InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)

2.1.3 InChI Key

HMPUHXCGUHDVBI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NN=C(S1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 108-33-8

2. 5-methyl-1,3,4-thiadiazol-2-amine

3. 2-amino-5-methylthiadiazole

4. 1,3,4-thiadiazol-2-amine, 5-methyl-

5. Usaf Cy-3

6. 5-methyl-[1,3,4]thiadiazol-2-ylamine

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

8. 5-methyl-1,3,4-thiadiazol-2-ylamine

9. 5-methyl-1,3,4-thiadiazole-2-amine

10. Mfcd00003110

11. 1,4-thiadiazol-2-amine, 5-methyl-

12. Chembl1288960

13. 5-amino-2-methyl-1,3,4-thiadiazole

14. Matd

15. Wln: T5nn Dsj C1 E1

16. 2-amino-5-methyl-1,4-thiadiazole

17. 1,4-thiadiazole, 2-amino-5-methyl-

18. Einecs 203-573-7

19. 2-methyl-5-amino-1,3,4-thiadiazole

20. Nsc 137228

21. Ai3-61163

22. Amino-5-methyl-1,3,4-thiadiazole

23. Mls001049227

24. Schembl282505

25. Unii-nc799929em

26. Schembl21228555

27. Hmpuhxcguhdvbi-uhfffaoysa-

28. Amy3777

29. Dtxsid70148347

30. Hms2787m24

31. Nc799929em

32. Amino-5-methyl 1,3,4-thiadiazole

33. Zinc8615005

34. Bdbm50331847

35. Nsc137228

36. Nsc526661

37. Stk016821

38. 5-methyl-2-amino-1,3,4-thiadiazole

39. Akos000100063

40. Nsc-137228

41. Nsc-526661

42. Ps-4597

43. 2-amino-5- Methyl-1,3,4-thiadiazole

44. 5-methyl-2 -amino-1,3,4-thiadiazole

45. 5-methyl-2-amino-1,3,4 -thiadiazole

46. Ncgc00246452-01

47. Smr000427775

48. Sy004265

49. Db-020477

50. A0874

51. Bb 0217150

52. Cs-0076370

53. Ft-0620585

54. 2-amino-5-methyl-1,3,4-thiadiazole, 97%

55. F13849

56. 108a338

57. W-108723

58. Z56900928

59. F1423-2916

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₅N₃S
Molecular Weight	115.16 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	115.02041835 g/mol
Monoisotopic Mass	115.02041835 g/mol
Topological Polar Surface Area	80 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	67.2
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