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(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone - ≥99%, high purity , CAS No.50508-60-6

COA

Grade & Purity:

≥99%

Cas Number: 50508-60-6
Molecular Weight: 265.76
PubChem CID: 13163365

In stock

Item Number

M727355

Grouped product items
SKU	Size	Availability	Price
M727355-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
M727355-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M727355-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
M727355-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Aryl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Aryl-phenylketones
Alternative Parents	2-amino-3-benzoylthiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives 2,3,5-trisubstituted thiophenes Chlorobenzenes Aryl chlorides 2-aminothiophenes Vinylogous halides Vinylogous amides Heteroaromatic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-phenylketone - 2-amino-3-benzoylthiophene - 3-aroylthiophene - Benzoyl - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 2-aminothiophene - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Organoheterocyclic compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl 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	(2-amino-5-ethylthiophen-3-yl)-(2-chlorophenyl)methanone
INCHI	InChI=1S/C13H12ClNOS/c1-2-8-7-10(13(15)17-8)12(16)9-5-3-4-6-11(9)14/h3-7H,2,15H2,1H3
InChIKey	RFCCZAHPNNJKKR-UHFFFAOYSA-N
Smiles	CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl
Isomeric SMILES	CCC1=CC(=C(S1)N)C(=O)C2=CC=CC=C2Cl
PubChem CID	13163365
Molecular Weight	265.76

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	265.760 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	265.033 Da
Monoisotopic Mass	265.033 Da
Topological Polar Surface Area	71.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	287.000
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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