≥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 | C1=CC(=CC=C1SC2=CC=C(O2)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)sulfanylfuran-2-carboxylic acid |
| InChIKey | BKWAAVNVNRWIPN-UHFFFAOYSA-N |
| INCHI | 1S/C11H7ClO3S/c12-7-1-3-8(4-2-7)16-10-6-5-9(15-10)11(13)14/h1-6H,(H,13,14) |
| Molecular Weight | 254.69 |
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 | Thiophenol ethers Furoic acids Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diarylthioether - Furoic acid or derivatives - Furoic acid - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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 | 254.690 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.98 Da |
| Monoisotopic Mass | 253.98 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 254.000 |
| 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 |
