≥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.
| Canonical Smiles | C1C2=CC=CC=C2C(=O)CSC3N1C(=O)C4=CC=CC=C34 |
|---|---|
| IUPAC Name | 11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione |
| InChIKey | JNKFQKAWVSLQCN-UHFFFAOYSA-N |
| INCHI | 1S/C17H13NO2S/c19-15-10-21-17-14-8-4-3-7-13(14)16(20)18(17)9-11-5-1-2-6-12(11)15/h1-8,17H,9-10H2 |
| Isomeric SMILES | C1C2=CC=CC=C2C(=O)CSC3N1C(=O)C4=CC=CC=C34 |
| PubChem CID | 3369240 |
| Molecular Weight | 295.36 |
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 | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Aryl alkyl ketones Benzenoids Tertiary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoindolone - Aryl alkyl ketone - Aryl ketone - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Thioether - Dialkylthioether - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 295.400 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 295.067 Da |
| Monoisotopic Mass | 295.067 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 452.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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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