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3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid

3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid - CAS 332099-36-2

Catalog:	BB021601
Product Name:	3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid
CAS:	332099-36-2
Synonyms:	3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid; 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Description:	3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic Acid (CAS# 332099-36-2) is a useful research chemical.
Molecular Weight:	246.08
Molecular Formula:	C7H4BrNO2S
Canonical SMILES:	C1=C(NC2=C1SC=C2Br)C(=O)O
InChI:	InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
InChI Key:	WQGQGYADKDKACG-UHFFFAOYSA-N
Boiling Point:	487.436 °C at 760 mmHg
Density:	2.05 g/cm³
MDL:	MFCD09954156
LogP:	2.69010

Publication Number	Title	Priority Date
WO-2020033490-A1	Substituted thienopyrroles as pad4 inhibitors	20180808
EP-3833671-A1	Substituted thienopyrroles as pad4 inhibitors	20180808
KR-20210042935-A	Substituted thienopyrrole as a PAD4 inhibitor	20180808
US-2021137886-A1	Inhibitors of metallo-beta-lactamases	20170526
US-2015050371-A1	Extract Formulations of Rhodamnia Cinerea And Uses Thereof	20120309

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.91461
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	244.91461
Rotatable Bond Count:	1
Topological Polar Surface Area:	81.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4