≥97% 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 | C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC=CC=C4C3=O)C#N |
|---|---|
| IUPAC Name | 2-(1,3-dioxoisoindol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| InChIKey | XWGXYAWQMGAWEV-UHFFFAOYSA-N |
| INCHI | 1S/C17H12N2O2S/c18-9-13-10-5-3-4-8-14(10)22-17(13)19-15(20)11-6-1-2-7-12(11)16(19)21/h1-2,6-7H,3-5,8H2 |
| Isomeric SMILES | C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=CC=CC=C4C3=O)C#N |
| PubChem CID | 701277 |
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 | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles N-substituted carboxylic acid imides Benzenoids Thiophenes Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Thiophene - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
| Molecular Weight | 308.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 308.062 Da |
| Monoisotopic Mass | 308.062 Da |
| Topological Polar Surface Area | 89.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 530.000 |
| 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 |
