≥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)SC=C2C(=O)OC(OC2=O)(C)C |
|---|---|
| IUPAC Name | 2,2-dimethyl-5-[(4-methylphenyl)sulfanylmethylidene]-1,3-dioxane-4,6-dione |
| InChIKey | RRLRLAVPBGCQMD-UHFFFAOYSA-N |
| INCHI | 1S/C14H14O4S/c1-9-4-6-10(7-5-9)19-8-11-12(15)17-14(2,3)18-13(11)16/h4-8H,1-3H3 |
| Isómeros SMILES | CC1=CC=C(C=C1)SC=C2C(=O)OC(OC2=O)(C)C |
| PubChem CID | 1489442 |
| Peso molecular | 278.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Toluenes Ketals Vinylogous thioesters Dicarboxylic acids and derivatives 1,3-dioxanes Enoate esters Thioenol ethers Lactones Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Ketal - Toluene - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous thioester - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Thioenolether - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 278.330 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 278.061 Da |
| Monoisotopic Mass | 278.061 Da |
| Topological Polar Surface Area | 77.900 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 |
![2,2-Dimethyl-5-{[(4-methylphenyl)sulfanyl]methylene}-1,3-dioxane-4,6-dione - ≥90% CAS No(477866-25-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D966349.jpg)