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Home > Encyclopedia > Acetic acid, 2-(aminothioxomethyl)hydrazide

Acetic acid, 2-(aminothioxomethyl)hydrazide

Acetic acid, 2-(aminothioxomethyl)hydrazide structure

Acetic acid, 2-(aminothioxomethyl)hydrazide 

structure
  • CAS No:

    2302-88-7

  • Formula:

    C3H7N3OS

  • Chemical Name:

    Acetic acid, 2-(aminothioxomethyl)hydrazide

  • Synonyms:

    Acetic acid,2-(aminothioxomethyl)hydrazide;Semicarbazide,1-acetyl-3-thio-;N-Acetylthiosemicarbazide;1-Acetylthiosemicarbazide;Acetylthiosemicarbazide;1-Acetyl-3-thiosemicarbazide;NSC 202518;2-Acetylhydrazinecarbothioamide

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

white to slightly beige crystalline powder

Acetic acid, 2-(aminothioxomethyl)hydrazide Basic Attributes

133.17

133.17

218-956-4

202518

DTXSID30177577

2930909090

Characteristics

99.2

-0.9

1.3±0.1 g/cm3

157 °C

1.585

Partly soluble in water.

Safety Information

III

6.1

2811

25-36/37/38

24/25-45

T

P264, P270, P301+P310, P321, P330, P405, P501

H301

|Danger|H301 (90.91%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 44 companies from 2 notifications to the ECHA C&L Inventory.

Acetic acid, 2-(aminothioxomethyl)hydrazide Use and Manufacturing

Intermediate 26: 2-Acetylhvdrazinecarbothioamide; To a solution of thiosemicarbazide (9.1 Og, O.I Omol) in anhydrous THF (100ml) was added acetyl chloride (8.64g, 0.11 mol) at OA suspension of thiosemicarbazide 2 (5.0 g, 55 mmol) in glacial acetic acid (25 ml) was heated under reflux for 2 h to give a clear solution. The crude acetylthiosemicarbazide slowly crystallised from solution on cooling. It was recrystallised from ethanol to give the pure product. Yield (4.4 g, 60percent), m.p. 163-165 °C (lit.A suspension of thiosemicarbazide 2 (5.0 g, 55 mmol) in glacial acetic acid (25 ml) was heated under reflux for 2 h to give a clear solution. The crude acetylthiosemicarbazide slowly crystallised from solution on cooling. It was recrystallised from ethanol to give the pure product. Yield (4.4 g, 60%), m.p. 163-165 C (lit.1 m.p. 166 C).

Computed Properties

Molecular Weight:133.18
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Exact Mass:133.03098303
Monoisotopic Mass:133.03098303
Topological Polar Surface Area:99.2
Heavy Atom Count:8
Complexity:113
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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