4-Benzylthiosemicarbazide
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4-Benzylthiosemicarbazide
structure -
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CAS No:
13431-41-9
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Formula:
C8H11N3S
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Chemical Name:
4-Benzylthiosemicarbazide
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Synonyms:
Hydrazinecarbothioamide,N-(phenylmethyl)-;Semicarbazide,4-benzyl-3-thio-;N-(Phenylmethyl)hydrazinecarbothioamide;B 1308;4-Benzylthiosemicarbazide;4-Benzyl-3-thiosemicarbazide;NSC 263514;4-Benzylhydrazinethiocarbamide;N-Benzylthiosemicarbazide;1-Amino-3-benzylthiourea;3-Amino-1-benzylthiourea;1258459-71-0
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CAS No:
Characteristics
82.2
2.00650
1.220±0.06 g/cm3(Predicted)
130 °C
320.4±35.0 °C(Predicted)
147.6ºC
1.644
Insoluble in water.
Safety Information
III
6.1
2811
22
36
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:181.26
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:181.06736854
Monoisotopic Mass:181.06736854
Topological Polar Surface Area:82.2
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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