Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | CC1=NN=C(O1)C2=CC3=C(C=C2)OC=C3C4=CC=C(C=C4)S(=O)C |
|---|---|
| IUPAC Name | 2-methyl-5-[3-(4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole |
| InChIKey | RCKYSTKYIVULEK-UHFFFAOYSA-N |
| INCHI | 1S/C18H14N2O3S/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3 |
| Isómeros SMILES | CC1=NN=C(O1)C2=CC3=C(C=C2)OC=C3C4=CC=C(C=C4)S(=O)C |
| PubChem CID | 24855958 |
| Peso molecular | 338.38 |
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 | Organoheterocyclic compounds |
| Clase | Benzofurans |
| Subclass | Phenylbenzofurans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzofurans |
| Alternative Parents | Phenyl sulfoxides Heteroaromatic compounds Furans 1,3,4-oxadiazoles Sulfoxides Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzofuran - Phenyl sulfoxide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Furan - Heteroaromatic compound - Oxadiazole - Sulfoxide - Azacycle - Oxacycle - Sulfinyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 33.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.46, Max Conc. mM: 25 |
|---|---|
| Peso molecular | 338.400 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 338.073 Da |
| Monoisotopic Mass | 338.073 Da |
| Topological Polar Surface Area | 88.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |