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Methyl 6H-thieno[2，3-b]pyrrole-5-carboxylate - ≥97%, high purity , CAS No.118465-49-9

COA

Grade & Purity:

≥97%

Cas Number: 118465-49-9
Molecular Weight: 181.21
PubChem CID: 7164601

In stock

Item Number

M710216

Grouped product items
SKU	Size	Availability	Price	Qty
M710216-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$207.90
M710216-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$625.90

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 carboxylic acids and derivatives Substituted pyrroles Thiophenes Methyl esters Heteroaromatic compounds Azoles Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Substituted pyrrole - Azole - Pyrrole - Thiophene - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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	methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate
INCHI	InChI=1S/C8H7NO2S/c1-11-8(10)6-4-5-2-3-12-7(5)9-6/h2-4,9H,1H3
InChIKey	YBIAQTPXONLBJG-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=C(N1)SC=C2
Isomeric SMILES	COC(=O)C1=CC2=C(N1)SC=C2
PubChem CID	7164601
Molecular Weight	181.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	181.210 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	181.02 Da
Monoisotopic Mass	181.02 Da
Topological Polar Surface Area	70.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	197.000
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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