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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
    Thiosemicarbazide
    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 Weight 91.14 g/mol
    Molecular Formula CH5N3S
    XLogP3-1.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass91.02041835 g/mol
    Monoisotopic Mass91.02041835 g/mol
    Topological Polar Surface Area96.2 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity42.2
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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)

    API Reference Price

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    15-Jun-2021
    08-May-2024
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