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

5-Nitrobenzo[b]thiophen-3(2H)-one 1,1-Dioxide - CAS 343348-19-6

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

Catalog:	BB022079
Product Name:	5-Nitrobenzo[b]thiophen-3(2H)-one 1,1-Dioxide
CAS:	343348-19-6
Synonyms:	5-nitro-1,1-dioxo-1-benzothiophen-3-one; 5-nitro-1,1-dioxo-1-benzothiophen-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-nitro-1,1-dioxo-1-benzothiophen-3-one
Description:	5-Nitrobenzo[b]thiophen-3(2H)-one 1,1-Dioxide (CAS# 343348-19-6 ) is a useful research chemical.
Molecular Weight:	227.19
Molecular Formula:	C8H5NO5S
Canonical SMILES:	C1C(=O)C2=C(S1(=O)=O)C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H5NO5S/c10-7-4-15(13,14)8-2-1-5(9(11)12)3-6(7)8/h1-3H,4H2
InChI Key:	FRVJPCXMCXAHGL-UHFFFAOYSA-N
LogP:	2.16880

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
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]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

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Publication Number	Title	Priority Date
WO-2021138694-A1	Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same	20200102
EP-0278910-A2	Heavy metal complex dyestuffs, their preparation and their use	19870211
EP-0278910-B1	Heavy metal complex dyestuffs, their preparation and their use	19870211
US-4960870-A	Heavy metal complex azo dyes containing a benzothiophene-1,1-dioxide, 2,1-benzothiazine-2,2-dioxide, 1,4-benzothiazine-1,1-dioxide or thienopyridine-1,1-dioxide coupling component	19870211

Complexity:	404
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.98884343
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.98884343
Rotatable Bond Count:	0
Topological Polar Surface Area:	105
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6