≥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=COC(=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Br |
|---|---|
| IUPAC Name | 1-(4-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone |
| InChIKey | SHNZYJZYBYMAJE-UHFFFAOYSA-N |
| INCHI | 1S/C14H9BrN2O3S/c15-10-5-3-9(4-6-10)11(18)8-21-14-17-16-13(20-14)12-2-1-7-19-12/h1-7H,8H2 |
| Isomeric SMILES | C1=COC(=C1)C2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Br |
| PubChem CID | 1113031 |
| Molecular Weight | 365.21 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Bromobenzenes Aryl bromides 1,3,4-oxadiazoles Furans Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Aryl thioether - Benzoyl - Aryl alkyl ketone - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Furan - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 365.200 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 363.952 Da |
| Monoisotopic Mass | 363.952 Da |
| Topological Polar Surface Area | 94.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |
![1-(4-Bromophenyl)-2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethan-1-one - ≥90% CAS No(327978-80-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1010707.jpg)