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5-cyano-4-methyl-3-phenyl-2-thiophenecarboxamide - ≥95%, high purity , CAS No.70541-99-0

COA

Grade & Purity:

≥95%

Cas Number: 70541-99-0
Molecular Weight: 242.3
PubChem CID: 2764074

In stock

Item Number

C700607

Grouped product items
SKU	Size	Availability	Price	Qty
C700607-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,092.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxamides
Alternative Parents	2-heteroaryl carboxamides Benzene and substituted derivatives Heteroaromatic compounds Primary carboxylic acid amides Nitriles Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Thiophene carboxamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
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	5-cyano-4-methyl-3-phenylthiophene-2-carboxamide
INCHI	InChI=1S/C13H10N2OS/c1-8-10(7-14)17-12(13(15)16)11(8)9-5-3-2-4-6-9/h2-6H,1H3,(H2,15,16)
InChIKey	ZTZHNCQVFOLOEO-UHFFFAOYSA-N
Smiles	CC1=C(SC(=C1C2=CC=CC=C2)C(=O)N)C#N
Isomeric SMILES	CC1=C(SC(=C1C2=CC=CC=C2)C(=O)N)C#N
PubChem CID	2764074
Molecular Weight	242.3

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)	181-183°
Molecular Weight	242.300 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	242.051 Da
Monoisotopic Mass	242.051 Da
Topological Polar Surface Area	95.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	343.000
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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