≥95% 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 | C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)N |
|---|---|
| IUPAC Name | 6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-amine |
| InChIKey | OXUHLCGCWHQHQW-UHFFFAOYSA-N |
| INCHI | 1S/C14H13NO2S/c15-11-8-12-13(17-7-6-16-12)9-14(11)18-10-4-2-1-3-5-10/h1-5,8-9H,6-7,15H2 |
| Isomeric SMILES | C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)N |
| PubChem CID | 28412322 |
| Molecular Weight | 259.32 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Benzo-1,4-dioxanes Thiophenol ethers Alkyl aryl ethers Para dioxins Benzene and substituted derivatives Sulfenyl compounds Oxacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diarylthioether - Benzo-1,4-dioxane - Benzodioxane - Thiophenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Oxacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic 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 | 259.329 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.067 Da |
| Monoisotopic Mass | 259.067 Da |
| Topological Polar Surface Area | 69.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 271.000 |
| 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 |
