≥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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSC3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid |
| InChIKey | NQQYYBKMORLLBA-UHFFFAOYSA-N |
| INCHI | 1S/C16H11ClO3S/c17-10-5-7-11(8-6-10)21-9-13-12-3-1-2-4-14(12)20-15(13)16(18)19/h1-8H,9H2,(H,18,19) |
| Peso molecular | 318.800 |
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 | Organoheterocyclic compounds |
| Clase | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Thiophenol ethers Furoic acids Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Furoic acid or derivatives - Aryl thioether - Thiophenol ether - Furoic acid - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
| Peso molecular | 318.800 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 318.012 Da |
| Monoisotopic Mass | 318.012 Da |
| Topological Polar Surface Area | 75.700 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
![3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid - ≥95% , CAS No.733790-56-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)