≥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.
| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)C2=C(CS(=O)(=O)C2)C(=O)C |
|---|---|
| IUPAC Name | 1-[4-(4-methylphenyl)sulfonyl-1,1-dioxo-2,5-dihydrothiophen-3-yl]ethanone |
| InChIKey | MJIXXDBVPOZQDI-UHFFFAOYSA-N |
| INCHI | 1S/C13H14O5S2/c1-9-3-5-11(6-4-9)20(17,18)13-8-19(15,16)7-12(13)10(2)14/h3-6H,7-8H2,1-2H3 |
| Isómeros SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(CS(=O)(=O)C2)C(=O)C |
| PubChem CID | 1485939 |
| Peso molecular | 314.38 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tosyl compounds |
| Alternative Parents | Benzenesulfonyl compounds Sulfones Dihydrothiophenes Ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Tosyl compound - Benzenesulfonyl group - Sulfonyl - Sulfone - 2,5-dihydrothiophene - Ketone - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom). |
| External Descriptors | Not available |
| Peso molecular | 314.400 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 314.028 Da |
| Monoisotopic Mass | 314.028 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 636.000 |
| 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 |
![3-acetyl-4-[(4-methylphenyl)sulfonyl]-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione - ≥90% , CAS No.339023-21-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)