≥95% 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.
| Sonrisas canónicas | CC1=CC(=O)NC(=C1C#N)SCC(=O)O |
|---|---|
| IUPAC Name | 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetic acid |
| InChIKey | DEWBOXOLIKKUKF-UHFFFAOYSA-N |
| INCHI | 1S/C9H8N2O3S/c1-5-2-7(12)11-9(6(5)3-10)15-4-8(13)14/h2H,4H2,1H3,(H,11,12)(H,13,14) |
| Peso molecular | 224.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | 3-pyridinecarbonitriles Pyridinones Alkylarylthioethers Dihydropyridines Methylpyridines Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Nitriles Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - 3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Methylpyridine - Alkylarylthioether - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 224.240 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 224.026 Da |
| Monoisotopic Mass | 224.026 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 428.000 |
| 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 |
![2-[(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid - ≥95% , CAS No.134616-73-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)