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(3aR,7aR)-Octahydro-2H-Benzimidazole-2-Thione
[CAS# 139237-77-7]

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Identification
Name (3aR,7aR)-Octahydro-2H-Benzimidazole-2-Thione
Synonyms (3aR,7aR)-octahydro-2H-benzimidazole-2-thione; (R,R)-Octahydro-benzoimidazole-2-thione
Molecular Structure CAS#: 139237-77-7, (3aR,7aR)-Octahydro-2H-Benzimidazole-2-Thione
Molecular Formula C7H12N2S
Molecular Weight 156.25
CAS Registry Number 139237-77-7
SMILES S=C1N[C@@H]2CCCC[C@H]2N1
InChI 1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)/t5-,6-/m1/s1
InChIKey INYFNNKRGLROQV-PHDIDXHHSA-N
Properties
Density 1.211g/cm3 (Cal.)
Boiling point 238.175°C at 760 mmHg (Cal.)
Flash point 97.845°C (Cal.)
Refractive index 1.61 (Cal.)
References
(1) YingChun Liu and XiaoYu Li . Perhydrobenzimidazole-2-thione , Acta Cryst (2009). E65, o248  
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