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
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Thiophenes

[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate
[315683-17-1]
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
[40106-13-6]
Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
[36860-49-8]
Ethyl 2-amino-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate

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