≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488193113 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193113 |
| Canonical Smiles | CCOC(=O)C(=O)C1=CC=C(C=C1)SC |
| IUPAC Name | ethyl 2-(4-methylsulfanylphenyl)-2-oxoacetate |
| InChIKey | AAVSFTKDXIEMEI-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O3S/c1-3-14-11(13)10(12)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)SC |
| Molecular Weight | 224.27 |
| Reaxy-Rn | 2643973 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2643973&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Thiophenol ethers Aryl ketones Alkylarylthioethers Alpha-keto acids and derivatives Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl thioether - Benzoyl - Aryl ketone - Thiophenol ether - Alkylarylthioether - Alpha-keto acid - Keto acid - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2313236 | Certificate of Analysis | Nov 10, 2025 | E358668 |
| B2313223 | Certificate of Analysis | Nov 10, 2025 | E358668 |
| B2313220 | Certificate of Analysis | Nov 10, 2025 | E358668 |
| C2520484 | Certificate of Analysis | Nov 15, 2022 | E358668 |
| Molecular Weight | 224.280 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 224.051 Da |
| Monoisotopic Mass | 224.051 Da |
| Topological Polar Surface Area | 68.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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 |
