≥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 | CC1(OC(=O)C(=CSCC2=CC=CC=C2)C(=O)O1)C |
|---|---|
| IUPAC Name | 5-(benzylsulfanylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione |
| InChIKey | YVYWGZSUSDADDE-UHFFFAOYSA-N |
| INCHI | 1S/C14H14O4S/c1-14(2)17-12(15)11(13(16)18-14)9-19-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| Isomeric SMILES | CC1(OC(=O)C(=CSCC2=CC=CC=C2)C(=O)O1)C |
| PubChem CID | 1489468 |
| Molecular Weight | 278.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | Vinylogous thioesters Dicarboxylic acids and derivatives Benzene and substituted 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 | Ketal - Meta-dioxane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous thioester - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Thioenolether - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
| Molecular Weight | 278.330 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| 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 | 372.000 |
| 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 |
![5-[(Benzylsulfanyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione - ≥90% , CAS No.128889-73-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)