5-Bromothiophene-2-sulfonamide - CAS 53595-65-6

Catalog:	BB028282
Product Name:	5-Bromothiophene-2-sulfonamide
CAS:	53595-65-6
Synonyms:	5-bromothiophene-2-sulfonamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-bromothiophene-2-sulfonamide
Description:	5-Bromothiophene-2-sulfonamide (CAS# 53595-65-6) is a useful research chemical.
Molecular Weight:	242.11
Molecular Formula:	C4H4BrNO2S2
Canonical SMILES:	C1=C(SC(=C1)Br)S(=O)(=O)N
InChI:	InChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChI Key:	WXJQQLDICAOBJB-UHFFFAOYSA-N
Boiling Point:	386.4 °C at 760 mmHg
Density:	1.951 g/cm³
Appearance:	Cream solid
MDL:	MFCD00067990
LogP:	2.93910

Publication Number	Title	Priority Date
WO-2021123237-A1	2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use	20191219
WO-2021002473-A1	Nrf2-activating compound	20190703
WO-2020227097-A1	Kcnt1 inhibitors and methods of use	20190503
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116

PMID	Publication Date	Title	Journal
19320487	20090423	A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy	Journal of medicinal chemistry

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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
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic 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)-

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[13669-10-8]
Ethyl (2-thenoyl)acetate

GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.88668
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.88668
Rotatable Bond Count:	1
Topological Polar Surface Area:	96.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2