Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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 | B(C1=C2C(=CC=C1)SC3=CC=CC=C3O2)(O)O |
|---|---|
| IUPAC Name | phenoxathiin-4-ylboronic acid |
| InChIKey | IIENVBUXFRSCLM-UHFFFAOYSA-N |
| INCHI | 1S/C12H9BO3S/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,14-15H |
| Isomeric SMILES | B(C1=C2C(=CC=C1)SC3=CC=CC=C3O2)(O)O |
| PubChem CID | 2734376 |
| Molecular Weight | 244.08 |
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 | Organoheterocyclic compounds |
| Class | Benzoxathiins |
| Subclass | Phenoxathiins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxathiins |
| Alternative Parents | Diarylthioethers Diarylethers Oxathiins Benzenoids Boronic acids Oxacyclic compounds Organic metalloid salts Organoboron compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxathiin - Diaryl ether - Diarylthioether - Aryl thioether - 1,4-oxathiin - Benzenoid - Boronic acid derivative - Boronic acid - Oxacycle - Ether - Organic metalloid salt - Thioether - Organoboron compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxathiins. These are polycyclic aromatic compounds containing a phenoxathiin moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxathiin ring. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Melt Point(°C) | 156-157° C |
| Molecular Weight | 244.080 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 244.037 Da |
| Monoisotopic Mass | 244.037 Da |
| Topological Polar Surface Area | 75.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 276.000 |
| 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 |