≥90% 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.
| Canonical Smiles | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=CC=C4Cl |
|---|---|
| IUPAC Name | [3-[(2-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]-phenylmethanone |
| InChIKey | HHWCBNANLHLNRN-UHFFFAOYSA-N |
| INCHI | 1S/C22H15ClO2S/c23-18-11-5-7-13-20(18)26-14-17-16-10-4-6-12-19(16)25-22(17)21(24)15-8-2-1-3-9-15/h1-13H,14H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=CC=C4Cl |
| PubChem CID | 3457105 |
| Molecular Weight | 378.88 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Benzofurans Thiophenol ethers Benzoyl derivatives Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Furans Sulfenyl compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - Benzofuran - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Aldehyde - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 378.900 g/mol |
|---|---|
| XLogP3 | 6.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 378.048 Da |
| Monoisotopic Mass | 378.048 Da |
| Topological Polar Surface Area | 55.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 479.000 |
| 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-{[(2-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-yl)(phenyl)methanone - ≥90% , CAS No.338424-52-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)