Benzo[b]thiophene-3(2H)-one 1,1-Dioxide - CAS 1127-35-1

Catalog:	BB003033
Product Name:	Benzo[b]thiophene-3(2H)-one 1,1-Dioxide
CAS:	1127-35-1
Synonyms:	1,1-dioxo-1-benzothiophen-3-one; 1,1-dioxo-1-benzothiophen-3-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,1-dioxo-1-benzothiophen-3-one
Description:	Benzo[b]thiophene-3(2H)-one 1,1-Dioxide (CAS# 1127-35-1) is a useful research chemical.
Molecular Weight:	182.20
Molecular Formula:	C8H6O3S
Canonical SMILES:	C1C(=O)C2=CC=CC=C2S1(=O)=O
InChI:	InChI=1S/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2
InChI Key:	LXCYNALXWGQUIK-UHFFFAOYSA-N
Boiling Point:	424.6 °C
Density:	1.498 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	1.73740

Publication Number	Title	Priority Date
WO-2021162115-A1	Laminate, display device, and organic electroluminescence display device	20200213
WO-2021066082-A1	Multilayer body and organic electroluminescent display device	20190930
WO-2021014973-A1	Wavelength-selective absorption filter and organic electroluminescence display device	20190725
US-2020376147-A1	Sodium saccharin having conjugated ligand, derivatives thereof and process for the preparation thereof	20190528
CN-109053678-A	A kind of preparation method of benzo [b] thiophene -3 (2H) -one -1,1- dioxide	20180918

PMID	Publication Date	Title	Journal
21666688	20110612	A biosensor generated via high-throughput screening quantifies cell edge Src dynamics	Nature chemical biology

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	299
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.00376522
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.00376522
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7