Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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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 | 2.4 |
|---|
| Canonical Smiles | CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)SC |
|---|---|
| IUPAC Name | 3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)benzenesulfonamide |
| InChIKey | VCNSPGHSQPMCFF-UHFFFAOYSA-N |
| INCHI | 1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20) |
| Isomeric SMILES | CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)SC |
| PubChem CID | 9884876 |
| Molecular Weight | 352.5 |
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 | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Benzenesulfonamides Benzenesulfonyl compounds Thiophenol ethers Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines Alkylarylthioethers Organosulfonamides Aminosulfonyl compounds Trialkylamines Sulfenyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Thiophenol ether - Phenylmethylamine - Phenol ether - Phenoxy compound - Aryl thioether - Benzylamine - Alkylarylthioether - Aralkylamine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Sulfenyl compound - Ether - Thioether - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 352.500 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 352.092 Da |
| Monoisotopic Mass | 352.092 Da |
| Topological Polar Surface Area | 106.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 456.000 |
| 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 |