Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% 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.
| Sonrisas canónicas | CC1=CC(=C(C2=C1SC(=C3C(=O)C4=C(S3)C(=CC(=C4C)Cl)C)C2=O)C)Cl |
|---|---|
| IUPAC Name | (2E)-5-chloro-2-(5-chloro-4,7-dimethyl-3-oxo-1-benzothiophen-2-ylidene)-4,7-dimethyl-1-benzothiophen-3-one |
| InChIKey | WNQYKPVIXDBBAO-FMQUCBEESA-N |
| INCHI | 1S/C20H14Cl2O2S2/c1-7-5-11(21)9(3)13-15(23)19(25-17(7)13)20-16(24)14-10(4)12(22)6-8(2)18(14)26-20/h5-6H,1-4H3/b20-19+ |
| Isómeros SMILES | CC1=CC(=C(C2=C1S/C(=C/3\C(=O)C4=C(S3)C(=CC(=C4C)Cl)C)/C2=O)C)Cl |
| PubChem CID | 15084930 |
| Peso molecular | 421.37 |
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 | Aryl ketones Vinylogous thioesters Benzenoids Aryl chlorides Thioenol ethers Organoheterocyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl thioether - Aryl ketone - Aryl chloride - Aryl halide - Vinylogous thioester - Benzenoid - Ketone - Thioenolether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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 | 421.400 g/mol |
|---|---|
| XLogP3 | 6.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 419.981 Da |
| Monoisotopic Mass | 419.981 Da |
| Topological Polar Surface Area | 84.700 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 623.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |