6-Bromo-2,3-dihydrobenzo[b]thiophene 1,1-Dioxide - CAS 61942-64-1

Catalog:	BB031344
Product Name:	6-Bromo-2,3-dihydrobenzo[b]thiophene 1,1-Dioxide
CAS:	61942-64-1
Synonyms:	6-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide; 6-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide
Description:	6-Bromo-2,3-dihydrobenzo[b]thiophene 1,1-Dioxide (CAS# 61942-64-1) is a useful research chemical.
Molecular Weight:	247.11
Molecular Formula:	C8H7BrO2S
Canonical SMILES:	C1CS(=O)(=O)C2=C1C=CC(=C2)Br
InChI:	InChI=1S/C8H7BrO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-2,5H,3-4H2
InChI Key:	FUHDZKNBAPRMHD-UHFFFAOYSA-N
LogP:	2.85970

Publication Number	Title	Priority Date
AU-2018332887-A1	Bisamide sarcomere activating compounds and uses thereof	20170913
CA-3075669-A1	Bisamide sarcomere activating compounds and uses thereof	20170913
KR-20200054237-A	Bisamide muscle fibrillar node activating compound and use thereof	20170913
TW-201920096-A	Diammine sarcomeric activation compound and use thereof	20170913
US-2019077793-A1	Bisamide sarcomere activating compounds and uses thereof	20170913

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Related Functional Groups

Benzofuran/Benzothiophene

[20532-34-7]
1-benzothiophen-5-ylmethanol
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[76981-71-0]
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[438228-39-8]
Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate
[96334-44-0]
Ethyl 2-amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate

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:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.93501
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.93501
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9