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1,1-Dioxido-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride

1,1-Dioxido-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride - CAS 7585-63-9

Catalog:	BB035420
Product Name:	1,1-Dioxido-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride
CAS:	7585-63-9
Synonyms:	1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
Description:	1,1-Dioxido-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride (CAS# 7585-63-9) is a useful research chemical.
Molecular Weight:	233.72
Molecular Formula:	C9H12ClNO2S
Canonical SMILES:	C1CS(=O)(=O)C2=CC=CC=C2C1N.Cl
InChI:	InChI=1S/C9H11NO2S.ClH/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9;/h1-4,8H,5-6,10H2;1H
InChI Key:	GKPLTSUHDQQPNM-UHFFFAOYSA-N
LogP:	3.44690

Publication Number	Title	Priority Date
WO-2010137620-A1	Phenoxyethylamine derivative	20090527
CA-2722031-A1	Iminopyridine derivative and use thereof	20080423
EP-2269989-A1	Iminopyridine derivative and use thereof	20080423
JP-WO2009131135-A1	Iminopyridine derivatives and uses thereof	20080423
KR-20110005277-A	Iminopyridine derivatives and uses thereof	20080423

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[1778-09-2]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.0277275
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.0277275
Rotatable Bond Count:	0
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0