Octahydro-1H-1,3-benzodiazole-2-thione - CAS 30086-64-7

Catalog:	BB020445
Product Name:	Octahydro-1H-1,3-benzodiazole-2-thione
CAS:	30086-64-7
Synonyms:	1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione; 1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione

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Computed Properties

IUPAC Name:	1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione
Description:	Octahydro-1H-1,3-benzodiazole-2-thione (CAS# 30086-64-7) is a useful research chemical.
Molecular Weight:	156.25
Molecular Formula:	C7H12N2S
Canonical SMILES:	C1CCC2C(C1)NC(=S)N2
InChI:	InChI=1S/C7H12N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)
InChI Key:	INYFNNKRGLROQV-UHFFFAOYSA-N
Boiling Point:	238.2 °C at 760 mmHg
Density:	1.21 g/cm³
MDL:	MFCD00123649
LogP:	1.43290

Publication Number	Title	Priority Date
EP-3067216-B1	Chromophoric compositions	20150310
EP-2899298-A1	Surface-treated plated material and method for producing same, and electronic component	20120919
EP-2878704-A1	Metal material for electronic components, method for producing same, connector terminal using same, connector and electronic component	20120725
EP-2878704-B1	Metal material for electronic components, method for producing same, connector terminal using same, connector and electronic component	20120725
WO-2008013832-A1	Vibration damping material of polyamides and mercaptobenzoimidazoles	20060725

PMID	Publication Date	Title	Journal
21581864	20090108	Perhydro-benzimidazole-2-thione	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.07211956
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	156.07211956
Rotatable Bond Count:	0
Topological Polar Surface Area:	56.2 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1