≥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 | CCC1=C(C(=C(C(=N1)SCC(=O)NC2=C(C=CC=C2Cl)Cl)C#N)C(F)(F)F)C |
|---|---|
| IUPAC Name | 2-[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide |
| InChIKey | NFTMQSDGWJQSBZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H14Cl2F3N3OS/c1-3-13-9(2)15(18(21,22)23)10(7-24)17(25-13)28-8-14(27)26-16-11(19)5-4-6-12(16)20/h4-6H,3,8H2,1-2H3,(H,26,27) |
| Isomeric SMILES | CCC1=C(C(=C(C(=N1)SCC(=O)NC2=C(C=CC=C2Cl)Cl)C#N)C(F)(F)F)C |
| PubChem CID | 1005517 |
| Molecular Weight | 448.29 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anilides |
| Alternative Parents | 3-pyridinecarbonitriles Dichlorobenzenes N-arylamides Alkylarylthioethers Methylpyridines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Nitriles Organochlorides Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Anilide - 1,3-dichlorobenzene - N-arylamide - 3-pyridinecarbonitrile - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Methylpyridine - Aryl halide - Aryl chloride - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. |
| External Descriptors | Not available |
| Molecular Weight | 448.300 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 447.019 Da |
| Monoisotopic Mass | 447.019 Da |
| Topological Polar Surface Area | 91.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 590.000 |
| 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-[3-cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2,6-dichlorophenyl)acetamide - ≥90% CAS No(664999-18-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C958326.jpg)