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Thiosemicarbazide

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Chemistry

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Also known as: 79-19-6, Hydrazinecarbothioamide, N-aminothiourea, Aminothiourea, 1-aminothiourea, Thiocarbamylhydrazine

Molecular Formula

CH₅N₃S

Molecular Weight

91.14 g/mol

InChI Key

BRWIZMBXBAOCCF-UHFFFAOYSA-N

FDA UNII

6056O8W6ET

1 2D Structure

Thiosemicarbazide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

aminothiourea

2.1.2 InChI

InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)

2.1.3 InChI Key

BRWIZMBXBAOCCF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(=S)(N)NN

2.2 Other Identifiers

2.2.1 UNII

6056O8W6ET

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-aminothiourea

2. Thiocarbamylhydrazine

3. Thiosemicarbazide Hydrochloride

4. Thiosemicarbazide Monohydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 79-19-6

2. Hydrazinecarbothioamide

3. N-aminothiourea

4. Aminothiourea

5. 1-aminothiourea

6. Thiocarbamylhydrazine

7. Isothiosemicarbazide

8. 2-thiosemicarbazide

9. 3-thiosemicarbazide

10. Thiocarbamoylhydrazine

11. Semicarbazide, Thio-

12. Aminothio-urea

13. Thiocarbamoyl Hydrazide

14. 1-amino-2-thiourea

15. Semicarbazide, 3-thio-

16. Usaf Ek-1275

17. Rcra Waste Number P116

18. Nsc 2213

19. Mfcd00007620

20. Thiosemicarbazine

21. Tsz

22. Chembl256250

23. 6056o8w6et

24. Nsc-2213

25. Wln: Zmyzus

26. Nsc 2213; Nsc 31792

27. Dsstox_cid_1346

28. Dsstox_rid_76099

29. Dsstox_gsid_21346

30. Isothiosemicarbazide (van)

31. Cas-79-19-6

32. Ccris 1416

33. Hsdb 6050

34. Einecs 201-184-7

35. Rcra Waste No. P116

36. Aminohydrazinomethane-1-thione

37. Aminoisothiourea

38. Unii-6056o8w6et

39. Ai3-16319

40. 1-azanylthiourea

41. Thio-semicarbazide

42. H2nnhcsnh2

43. Thiosemicarbazide, 98%

44. Thiosemicarbazide, 99%

45. (aminothioxomethyl)hydrazine

46. (aminothioxomethyl)-hydrazine

47. Thiosemicarbazide [mi]

48. Dtxsid9021346

49. Thiosemicarbazide, P.a., 98%

50. Chebi:49929

51. Nsc2213

52. 4-(t-butyl)-2-ethoxybenzoicacid

53. Hy-y0032

54. Nsc31792

55. Str00427

56. Zinc8830546

57. 1-amino-2-thiourea [hsdb]

58. Tox21_201348

59. Tox21_302983

60. Bdbm50236982

61. Nsc-31792

62. Stl194285

63. Akos000269047

64. Thiosemicarbazide, Puriss. P.a., 98%

65. Ncgc00091884-01

66. Ncgc00091884-02

67. Ncgc00256506-01

68. Ncgc00258900-01

69. Sy001634

70. Db-030119

71. Thiosemicarbazide, Purum, >=98.0% (rt)

72. Am20100785

73. Cs-0008325

74. Ft-0657078

75. T0221

76. A839613

77. W-104264

78. Q16295007

79. F1908-0101

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	CH₅N₃S
Molecular Weight	91.14 g/mol
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	91.02041835 g/mol
Monoisotopic Mass	91.02041835 g/mol
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	42.2
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Convulsants

Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools. (See all compounds classified as Convulsants.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

4.2 Mechanism of Action

Glutamic acid decarboxylase activity in mouse brain homogenates was reduced after pretreatment with thiosemicarbazide.

PMID:497036 Sawaya C et al; Biochem pharmacol 28 (18): 2854-6 (1979)

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