≥90% 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=C(C=C(C(=N1)SCC#C)C#N)C(=O)C |
|---|---|
| IUPAC Name | 5-acetyl-6-methyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile |
| InChIKey | BDQLINGXAIBTDB-UHFFFAOYSA-N |
| INCHI | 1S/C12H10N2OS/c1-4-5-16-12-10(7-13)6-11(9(3)15)8(2)14-12/h1,6H,5H2,2-3H3 |
| Isómeros SMILES | CC1=C(C=C(C(=N1)SCC#C)C#N)C(=O)C |
| PubChem CID | 2767380 |
| Peso molecular | 230.29 |
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 | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Aryl alkyl ketones 3-pyridinecarbonitriles Methylpyridines Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Acetylides Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aryl ketone - Aryl alkyl ketone - 3-pyridinecarbonitrile - Alkylarylthioether - Methylpyridine - Pyridine - Heteroaromatic compound - Ketone - Carbonitrile - Nitrile - Sulfenyl compound - Acetylide - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - 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 | 230.290 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 230.051 Da |
| Monoisotopic Mass | 230.051 Da |
| Topological Polar Surface Area | 79.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 362.000 |
| 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 |
