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4-Amino-2,2-dioxoisothiochromane Hydrochloride

4-Amino-2,2-dioxoisothiochromane Hydrochloride - CAS 916420-33-2

Catalog:	BB040294
Product Name:	4-Amino-2,2-dioxoisothiochromane Hydrochloride
CAS:	916420-33-2
Synonyms:	2,2-dioxo-3,4-dihydro-1H-2-benzothiopyran-4-amine; 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine
Description:	4-Amino-2,2-dioxoisothiochromane Hydrochloride (CAS# 916420-33-2 ) is a useful research chemical.
Molecular Weight:	233.72
Molecular Formula:	C9H12ClNO2S
Canonical SMILES:	C1C(C2=CC=CC=C2CS1(=O)=O)N
InChI:	InChI=1S/C9H11NO2S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
InChI Key:	NQQQZIIUCBAOSL-UHFFFAOYSA-N
LogP:	2.39590

Publication Number	Title	Priority Date
US-2005267199-A1	2-Amino- and 2-thio- substituted 1,3-diaminopropanes	20040325
US-7544717-B2	2-amino- and 2-thio- substituted 1,3-diaminopropanes	20040325
US-2005239832-A1	Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors	20040309
WO-2005087714-A2	Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors	20040309
US-2006128786-A1	Compounds for the treatment of alzheimer's disease	20020927

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Related Functional Groups

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2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
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Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.05104977
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.05104977
Rotatable Bond Count:	0
Topological Polar Surface Area:	68.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2