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3-Bromo-4h-thieno[3,2-b]pyrrole-5-carboxylic acid - 95%, high purity , CAS No.332099-36-2

COA

Grade & Purity:

≥95%

Cas Number: 332099-36-2
Molecular Weight: 246.1
PubChem CID: 22556498

In stock

Item Number

B183768

Grouped product items
SKU	Size	Availability	Price
B183768-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
B183768-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$112.90
B183768-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$469.90

Basic Description

Synonyms	3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid \| 332099-36-2 \| 3-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylicacid \| C7H4BrNO2S \| SCHEMBL1242725 \| DTXSID90626415 \| WQGQGYADKDKACG-UHFFFAOYSA-N \| MFCD09954156 \| AKOS015856093 \| DS-1450 \| FS-3410 \| A5925 \| CS-0170898 \| FT-0648805 \| EN30
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyrroles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyrroles
Alternative Parents	Pyrrole 2-carboxylic acids Substituted pyrroles Aryl bromides Thiophenes Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Aryl bromide - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiophene - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyrroles. These are heterocyclic compounds containing a thiophene ring fused to a pyrrole ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
INCHI	InChI=1S/C7H4BrNO2S/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)
InChIKey	WQGQGYADKDKACG-UHFFFAOYSA-N
Smiles	C1=C(NC2=C1SC=C2Br)C(=O)O
Isomeric SMILES	C1=C(NC2=C1SC=C2Br)C(=O)O
Molecular Weight	246.1
Reaxy-Rn	11732971
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11732971&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	246.080 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	244.915 Da
Monoisotopic Mass	244.915 Da
Topological Polar Surface Area	81.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	214.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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