6-Bromobenzo[b]thiophene - CAS 17347-32-9

Catalog:	BB012926
Product Name:	6-Bromobenzo[b]thiophene
CAS:	17347-32-9
Synonyms:	6-bromo-1-benzothiophene; 6-bromo-1-benzothiophene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-1-benzothiophene
Description:	6-Bromobenzo[b]thiophene (CAS# 17347-32-9) is a reagent for the synthesis of aminobenzo[b]thiophene 1,1-dioxides as STAT3 inhibitors with antitumor activities being an attractive therapeutic target for cancer therapy.
Molecular Weight:	213.09
Molecular Formula:	C8H5BrS
Canonical SMILES:	C1=CC(=CC2=C1C=CS2)Br
InChI:	InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
InChI Key:	OQIMJOXSDVGEBU-UHFFFAOYSA-N
Boiling Point:	284.713 °C at 760 mmHg
Density:	1.649 g/cm³
MDL:	MFCD11226847
LogP:	3.66380

Publication Number	Title	Priority Date
CN-111303149-A	Benzo five-membered fused heterocycle organic compound and application thereof	20200331
CN-111285844-A	Novel benzothiazole substituted amide compound with biological activity and synthesis method and application thereof	20200224
WO-2021117622-A1	Condensed polycyclic aromatic compound	20191210
US-2021078999-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2021055621-A1	Plasma kallikrein inhibitors and uses thereof	20190918

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Related Functional Groups

Benzofuran/Benzothiophene

[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[1427556-50-0]
N-(9,9-Dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
N-(9,9-diphenyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
[50451-84-8]
5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.92953
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.92953
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6