≥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 | COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)OC4=CC=C(C=C4)F |
|---|---|
| IUPAC Name | 3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide |
| InChIKey | LUHKAFLEPLFVGB-UHFFFAOYSA-N |
| INCHI | 1S/C22H17FO4S/c1-25-16-7-3-14(4-8-16)22-21(27-17-9-5-15(23)6-10-17)19-12-11-18(26-2)13-20(19)28(22)24/h3-13H,1-2H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)C2=C(C3=C(S2=O)C=C(C=C3)OC)OC4=CC=C(C=C4)F |
| PubChem CID | 5525151 |
| Molecular Weight | 396.44 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | 1-benzothiophenes Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Thiophene sulfoxides Aryl fluorides Heteroaromatic compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - 1-benzothiophene - Benzothiophene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Thiophene sulfoxide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 396.400 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 396.083 Da |
| Monoisotopic Mass | 396.083 Da |
| Topological Polar Surface Area | 64.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 593.000 |
| 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 |
