Octahydro-2H-benzimidazole-2-thione
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Octahydro-2H-benzimidazole-2-thione
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CAS No:
30086-64-7
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Formula:
C7H12N2S
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Chemical Name:
Octahydro-2H-benzimidazole-2-thione
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Synonyms:
2H-Benzimidazole-2-thione,octahydro-;2-Benzimidazolinethione,hexahydro-;Octahydro-2H-benzimidazole-2-thione
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CAS No:
Safety Information
P264, P270, P301+P310, P321, P330, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Octahydro-2H-benzimidazole-2-thione Use and Manufacturing
To a well-stirred solution of cycIohexane-12-diamine (11.4 g, 0.lmoi) in water was added sodium hydroxide (8 g, 02 mmol) foNowed by carbon disulfide (8.36 g, 0.11mmol) at room temperature. The mixture was heated to lOOt overnight. The mbcture was cooled, acidified with dilute hydrochloric acid, and extracted into DCM (100 ml X 3 mL). The combined organic layer was dried over sodium sulfate, and the solvent was removed completely to give the product SB an off-white solid (12.7 g yield, 81percent). 1H-NMR (400 MHz, CDCI3): 51.12-1.31 (m, 2H), 1.33-1.52 (m, 2H)j.57-1.91(m2H), 1.99-2.08(m, 2H), 3.26-3.35(m.2H), 6.2(sjH) MS (Cl): 157.2 (M+1),
Computed Properties
Molecular Weight:156.25
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:156.07211956
Monoisotopic Mass:156.07211956
Topological Polar Surface Area:56.2
Heavy Atom Count:10
Complexity:142
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Octahydro-2H-benzimidazole-2-thione
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