≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 2.3 |
|---|
| Sonrisas canónicas | C1=CC=C2C(=C1)OC3=CC=CC=C3S2=O |
|---|---|
| IUPAC Name | phenoxathiine 10-oxide |
| InChIKey | ZESLIAUQVGLCIA-UHFFFAOYSA-N |
| INCHI | 1S/C12H8O2S/c13-15-11-7-3-1-5-9(11)14-10-6-2-4-8-12(10)15/h1-8H |
| Isómeros SMILES | C1=CC=C2C(=C1)OC3=CC=CC=C3S2=O |
| PubChem CID | 70360 |
| Peso molecular | 216.26 |
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 |
| Clase | Benzoxathiins |
| Subclass | Phenoxathiins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxathiins |
| Alternative Parents | Diarylethers Oxathiins Benzenoids Sulfoxides Sulfinyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxathiin - Diaryl ether - Benzenoid - 1,4-oxathiin - Sulfoxide - Oxacycle - Sulfinyl compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Peso molecular | 216.260 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 216.025 Da |
| Monoisotopic Mass | 216.025 Da |
| Topological Polar Surface Area | 58.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 242.000 |
| 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 |
