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2-Thiophenecarboxamide - >98.0%(N), high purity , CAS No.5813-89-8

COA

Grade & Purity:

≥98%(N)

Cas Number: 5813-89-8
Molecular Weight: 127.16
Beilstein Registry Number: 18290
MDL number: MFCD00010425
PubChem CID: 22063
PubChem SID: 488182736

In stock

Item Number

T162813

Grouped product items
SKU	Size	Availability	Price
T162813-1g	1g	3	$9.90
T162813-5g	5g	5	$35.90
T162813-25g	25g	3	$118.90

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Five-Membered Heterocyclic Compounds (2064) thiophenes (401)

Basic Description

Synonyms	T1252 \| FT-0635863 \| F1084-0215 \| 2-(Aminocarbonyl)thiophene \| 2-THIOPHENECARBOXAMIDE \| NSC 109369 \| SY048620 \| DTXSID60206849 \| 5-18-06-00162 (Beilstein Handbook Reference) \| D85795 \| thiophenic imine \| SCHEMBL120212 \| thiolamide \| AKOS000265960 \| SCHEMB
Specifications & Purity	≥98%(N)
Shipped In	Normal
Product Description	2-Thiophenecarboxamide is a small molecule DnaK modulator targeting the β (nucleotide binding) domain for potential use as antibacterial agent.

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 Heteroaromatic compounds Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Thiophene carboxamide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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

Pubchem Sid	488182736
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182736
IUPAC Name	thiophene-2-carboxamide
INCHI	InChI=1S/C5H5NOS/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
InChIKey	DENPQNAWGQXKCU-UHFFFAOYSA-N
Smiles	C1=CSC(=C1)C(=O)N
Isomeric SMILES	C1=CSC(=C1)C(=O)N
WGK Germany	3
RTECS	XM8290000
PubChem CID	22063
Molecular Weight	127.16
Beilstein	18290
Reaxy-Rn	110153

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
J2026067	Certificate of Analysis	Aug 13, 2024	T162813
J2026068	Certificate of Analysis	Aug 13, 2024	T162813
E2308055	Certificate of Analysis	May 17, 2023	T162813
F2302633	Certificate of Analysis	Apr 24, 2023	T162813
F2302632	Certificate of Analysis	Apr 24, 2023	T162813
F2302631	Certificate of Analysis	Apr 24, 2023	T162813
F2302629	Certificate of Analysis	Apr 24, 2023	T162813
F2302634	Certificate of Analysis	Apr 24, 2023	T162813

Chemical and Physical Properties

Melt Point(°C)	178-183 °C
Molecular Weight	127.170 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	127.009 Da
Monoisotopic Mass	127.009 Da
Topological Polar Surface Area	71.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	105.000
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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