Phenylthiohydantoin
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Phenylthiohydantoin
structure -
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CAS No:
2010-15-3
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Formula:
C9H8N2OS
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Chemical Name:
Phenylthiohydantoin
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Synonyms:
4-Imidazolidinone,3-phenyl-2-thioxo-;Hydantoin,3-phenyl-2-thio-;3-Phenyl-2-thioxo-4-imidazolidinone;3-Phenyl-2-thiohydantoin;Phenylthiohydantoin;3-N-Phenyl-2-thiohydantoin;Glycine phenylthiohydantoin;Glycine,3-phenyl-2-thiohydantoin;PTH-Glycine;4-Oxo-3-phenylimidazolidine-2-thione;3-(Phenyl)thiohydantoin;1-Phenyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one;3-Phenyl-2-sulfanylideneimidazolidin-4-one
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CAS No:
Characteristics
64.4
1.30150
1.39g/cm3
179-180 °C @ Solvent: Ethanol
292.1ºC at 760mmHg
130.5ºC
1.684
−20°C
Safety Information
III
6.1(b)
UN 2811 6.1/PG 3
3
23/24/25
36/37/39-45
MU4025000
T
P261-P280-P301 + P310-P311
H301-H311-H331
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:192.24
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:192.03573406
Monoisotopic Mass:192.03573406
Topological Polar Surface Area:64.4
Heavy Atom Count:13
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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