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2-(4-Methoxybenzoyl)thiophene - >98.0%(GC), high purity , CAS No.4160-63-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 4160-63-8
Molecular Weight: 218.27
MDL number: MFCD00005440
PubChem CID: 77812

In stock

Item Number

M157942

Grouped product items
SKU	Size	Availability	Price
M157942-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
M157942-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
M157942-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90

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

Basic Description

Synonyms	(4-methoxyphenyl)(2-thienyl)methanone \| InChI=1/C12H10O2S/c1-14-10-6-4-9(5-7-10)12(13)11-3-2-8-15-11/h2-8H,1H \| (4-Methoxyphenyl)-2-thienylmethanone \| (4-methoxyphenyl)(thiophen-2-yl)methanone \| DTXSID70194425 \| EINECS 223-997-6 \| Ketone, p-methoxyphenyl
Specifications & Purity	≥98%(GC)
Shipped In	Normal

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	Thiophene carboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-phenylketone - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Ether - Organic oxide - Hydrocarbon derivative - 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(4-methoxyphenyl)-thiophen-2-ylmethanone
INCHI	InChI=1S/C12H10O2S/c1-14-10-6-4-9(5-7-10)12(13)11-3-2-8-15-11/h2-8H,1H3
InChIKey	KYVBFEMQEUXVQB-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C(=O)C2=CC=CS2
Isomeric SMILES	COC1=CC=C(C=C1)C(=O)C2=CC=CS2
Molecular Weight	218.27
Reaxy-Rn	148560
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=148560&ln=

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)	74 °C
Molecular Weight	218.270 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	218.04 Da
Monoisotopic Mass	218.04 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222.000
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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