≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CC(C)OC(=O)CC(=O)CSC1=C(C=C2CCCCCCC2=N1)C#N |
|---|---|
| IUPAC Name | propan-2-yl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate |
| InChIKey | GHGHIKGBNIZCFJ-UHFFFAOYSA-N |
| INCHI | 1S/C19H24N2O3S/c1-13(2)24-18(23)10-16(22)12-25-19-15(11-20)9-14-7-5-3-4-6-8-17(14)21-19/h9,13H,3-8,10,12H2,1-2H3 |
| Isomeric SMILES | CC(C)OC(=O)CC(=O)CSC1=C(C=C2CCCCCCC2=N1)C#N |
| PubChem CID | 1774193 |
| Molecular Weight | 360.48 |
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 |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Fatty acid esters Beta-keto acids and derivatives Alkylarylthioethers Pyridines and derivatives 1,3-dicarbonyl compounds Heteroaromatic compounds Ketones Carboxylic acid esters Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl thioether - Beta-keto acid - Fatty acid ester - Alkylarylthioether - Keto acid - Pyridine - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 360.500 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 360.151 Da |
| Monoisotopic Mass | 360.151 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 514.000 |
| 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 |
![Propan-2-yl 4-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate - ≥90% , CAS No.500270-74-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)