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5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide

5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide - CAS 250736-42-6

Name: 5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018726
Product Name:	5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide
CAS:	250736-42-6
Synonyms:	5-bromo-1,1-dioxo-1-benzothiophen-3-one; 5-bromo-1,1-dioxo-1-benzothiophen-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-1,1-dioxo-1-benzothiophen-3-one
Description:	5-Bromobenzo[b]thiophen-3(2H)-one 1,1-Dioxide (CAS# 250736-42-6 ) is a useful research chemical.
Molecular Weight:	261.09
Molecular Formula:	C8H5BrO3S
Canonical SMILES:	C1C(=O)C2=C(S1(=O)=O)C=CC(=C2)Br
InChI:	InChI=1S/C8H5BrO3S/c9-5-1-2-8-6(3-5)7(10)4-13(8,11)12/h1-3H,4H2
InChI Key:	OSCAROHQYYOTHG-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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Publication Number	Title	Priority Date
AU-2014234906-A1	Cycloalkyl nitrile pyrazolo pyridones as Janus kinase inhibitors	20130319
CA-2901763-A1	Cycloalkyl nitrile pyrazolo pyridones as janus kinase inhibitors	20130319
CA-2901770-A1	Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors	20130319
EP-2976340-A1	Cycloalkyl nitrile pyrazolo pyridones as janus kinase inhibitors	20130319
EP-2976340-B1	Cycloalkyl nitrile pyrazolo pyridones as janus kinase inhibitors	20130319

Complexity:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.91428
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.91428
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4