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2-Acetyl-5-cyanothiophene - 97%, high purity , CAS No.88653-55-8

COA

Grade & Purity:

≥97%

Cas Number: 88653-55-8
Molecular Weight: 151.19
Beilstein Registry Number: 1306961
MDL number: MFCD00052314
PubChem CID: 2747565
PubChem SID: 504761407

In stock

Item Number

A136066

Grouped product items
SKU	Size	Availability	Price
A136066-1g	1g	4	$241.90
A136066-5g	5g	3	$859.90
A136066-25g	25g	1	$2,987.90

Basic Description

Synonyms	5-acetylthiophene-2-carbonitrile \| 88653-55-8 \| 2-ACETYL-5-CYANOTHIOPHENE \| 2-Acetyl-5-cyanotiophene \| 5-ethanoylthiophene-2-carbonitrile \| 5-cyano-2-acetylthiophene \| Maybridge1_000101 \| 2-cyano-5-acetyl-thiophene \| MixCom1_000189 \| SCHEMBL352339 \| CHEMBL1650234 \| 5-acetyl-2-
Specifications & Purity	≥97%
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 Aryl alkyl ketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones
Direct Parent	Aryl alkyl ketones
Alternative Parents	2,5-disubstituted thiophenes Heteroaromatic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - 2,5-disubstituted thiophene - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Pubchem Sid	504761407
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761407
IUPAC Name	5-acetylthiophene-2-carbonitrile
INCHI	InChI=1S/C7H5NOS/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChIKey	VSHPLUBHIUFLES-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(S1)C#N
Isomeric SMILES	CC(=O)C1=CC=C(S1)C#N
Molecular Weight	151.19
Beilstein	1306961
Reaxy-Rn	1306961
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306961&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
E2315386	Certificate of Analysis	Apr 17, 2025	A136066
J2217104	Certificate of Analysis	Aug 09, 2024	A136066
J2217119	Certificate of Analysis	Aug 09, 2024	A136066
J2217112	Certificate of Analysis	Aug 09, 2024	A136066

Chemical and Physical Properties

Molecular Weight	151.190 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.009 Da
Monoisotopic Mass	151.009 Da
Topological Polar Surface Area	69.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	193.000
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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