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≥95%(HPLC) 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)COC2=CC(=CC=C2)S(F)(F)(F)(F)F |
|---|---|
| IUPAC Name | pentafluoro-(3-phenylmethoxyphenyl)-λ6-sulfane |
| InChIKey | XWGOMDRKXXUJRW-UHFFFAOYSA-N |
| INCHI | 1S/C13H11F5OS/c14-20(15,16,17,18)13-8-4-7-12(9-13)19-10-11-5-2-1-3-6-11/h1-9H,10H2 |
| Isomeric SMILES | C1=CC=C(C=C1)COC2=CC(=CC=C2)S(F)(F)(F)(F)F |
| WGK Germany | 3 |
| Molecular Weight | 310.28 |
| Reaxy-Rn | 21397008 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21397008&ln= |
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 | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Alkyl aryl ethers Organosulfur compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 310.280 g/mol |
|---|---|
| XLogP3 | 7.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 310.045 Da |
| Monoisotopic Mass | 310.045 Da |
| Topological Polar Surface Area | 10.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 335.000 |
| 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 |