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Methyl 3-Acetamidothiophene-2-carboxylate - ≥97%, high purity , CAS No.22288-79-5

COA

Grade & Purity:

≥97%

Cas Number: 22288-79-5
Molecular Weight: 199.23
PubChem CID: 729216

In stock

Item Number

M698847

Grouped product items
SKU	Size	Availability	Price
M698847-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
M698847-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90
M698847-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass N-arylamides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	N-arylamides
Intermediate Tree Nodes	Not available
Direct Parent	N-acetylarylamines
Alternative Parents	Thiophene carboxylic acids and derivatives Vinylogous amides Methyl esters Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acetylarylamine - Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Acetamide - Thiophene - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl group.
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 3-acetamidothiophene-2-carboxylate
INCHI	InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey	VVGYLIJOPUUXJN-UHFFFAOYSA-N
Smiles	CC(=O)NC1=C(SC=C1)C(=O)OC
Isomeric SMILES	CC(=O)NC1=C(SC=C1)C(=O)OC
PubChem CID	729216
Molecular Weight	199.23

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	94-95°
Molecular Weight	199.230 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	199.03 Da
Monoisotopic Mass	199.03 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219.000
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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