for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-] |
|---|---|
| IUPAC Name | diphenyl-(4-phenylsulfanylphenyl)sulfanium;trifluoromethanesulfonate |
| InChIKey | WEYUQUMMYNRIPP-UHFFFAOYSA-M |
| INCHI | 1S/C24H19S2.CHF3O3S/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;2-1(3,4)8(5,6)7/h1-19H;(H,5,6,7)/q+1;/p-1 |
| Isomeric SMILES | C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-] |
| PubChem CID | 16213836 |
| Molecular Weight | 520.61 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Trifluoromethanesulfonates Thiophenol ethers Benzene and substituted derivatives Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Sulfenyl compounds Organofluorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Diarylthioether - Trifluoromethanesulfonate - Thiophenol ether - Benzenoid - Monocyclic benzene moiety - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Trihalomethane - Sulfenyl compound - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organic salt - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 520.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 520.045 Da |
| Monoisotopic Mass | 520.045 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 510.000 |
| 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 | 2 |
