BioReagent BioReagent 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 | C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5 |
|---|---|
| IUPAC Name | 1,8-bis(phenylsulfanyl)anthracene-9,10-dione |
| InChIKey | CNRPDCKHCGUKDK-UHFFFAOYSA-N |
| INCHI | 1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H |
| Isomeric SMILES | C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5 |
| Alternate CAS | 106768-99-4,13676-91-0 |
| PubChem CID | 83650 |
| NSC Number | 156516 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthraquinones |
| Alternative Parents | Diarylthioethers Thiophenol ethers Aryl ketones Vinylogous thioesters Benzene and substituted derivatives Sulfenyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 9,10-anthraquinone - Anthraquinone - Diarylthioether - Aryl thioether - Thiophenol ether - Aryl ketone - Monocyclic benzene moiety - Vinylogous thioester - Ketone - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. |
| External Descriptors | Not available |
| Molecular Weight | 424.500 g/mol |
|---|---|
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.059 Da |
| Monoisotopic Mass | 424.059 Da |
| Topological Polar Surface Area | 84.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 573.000 |
| 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 |
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