≥97% 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=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| InChIKey | QLFJYEKMXLFQJM-UHFFFAOYSA-N |
| INCHI | 1S/C17H12F3N3O2S/c18-17(19,20)12-7-4-8-13(9-12)21-14(24)10-26-16-23-22-15(25-16)11-5-2-1-3-6-11/h1-9H,10H2,(H,21,24) |
| Molecular Weight | 379.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Anilides N-arylamides Alkylarylthioethers Heteroaromatic compounds 1,3,4-oxadiazoles Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Sulfenyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 379.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 379.06 Da |
| Monoisotopic Mass | 379.06 Da |
| Topological Polar Surface Area | 93.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| 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 |
![2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide - ≥97% , CAS No.329080-16-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)