≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Sonrisas canónicas | C1=CC=C(C(=C1)CC(=O)O)SC2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid |
| InChIKey | WZICWIASCZNZHO-UHFFFAOYSA-N |
| INCHI | 1S/C14H11ClO2S/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17) |
| Isómeros SMILES | C1=CC=C(C(=C1)CC(=O)O)SC2=CC=C(C=C2)Cl |
| CAS alternativo | 13459-62-6 |
| PubChem CID | 826699 |
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 | Organosulfur compounds |
| Clase | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Thiophenol ethers Chlorobenzenes Aryl chlorides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diarylthioether - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Descripción | 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 |
| Peso molecular | 278.800 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 278.017 Da |
| Monoisotopic Mass | 278.017 Da |
| Topological Polar Surface Area | 62.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| 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 |
