Acetic acid, 2-(aminothioxomethyl)hydrazide
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Acetic acid, 2-(aminothioxomethyl)hydrazide
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CAS No:
2302-88-7
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Formula:
C3H7N3OS
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Chemical Name:
Acetic acid, 2-(aminothioxomethyl)hydrazide
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Synonyms:
Acetic acid,2-(aminothioxomethyl)hydrazide;Semicarbazide,1-acetyl-3-thio-;N-Acetylthiosemicarbazide;1-Acetylthiosemicarbazide;Acetylthiosemicarbazide;1-Acetyl-3-thiosemicarbazide;NSC 202518;2-Acetylhydrazinecarbothioamide
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CAS No:
Acetic acid, 2-(aminothioxomethyl)hydrazide Basic Attributes
133.17
133.17
218-956-4
202518
DTXSID30177577
2930909090
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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Acetic acid, 2-(aminothioxomethyl)hydrazide
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