≥95% 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 | C1=CC(=CC=C1N2C(=O)C=CC2=O)SC(F)F |
|---|---|
| IUPAC Name | 1-[4-(difluoromethylsulfanyl)phenyl]pyrrole-2,5-dione |
| InChIKey | ZIEKEFYFBUWELP-UHFFFAOYSA-N |
| INCHI | 1S/C11H7F2NO2S/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6,11H |
| Molecular Weight | 255.240 |
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 | Organoheterocyclic compounds |
| Class | Pyrrolines |
| Subclass | Phenylpyrrolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolines |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Maleimides Benzene and substituted derivatives N-substituted carboxylic acid imides Pyrroles Dicarboximides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrroline - Aryl thioether - Thiophenol ether - Maleimide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrole - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 255.240 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 255.017 Da |
| Monoisotopic Mass | 255.017 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 333.000 |
| 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 |
![1-{4-[(difluoromethyl)sulfanyl]phenyl}-2,5-dihydro-1H-pyrrole-2,5-dione - ≥95% CAS No(68255-71-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1043674.jpg)