≥90% 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 | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CCCCCC3)C(=C2C#N)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[[3-cyano-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide |
| InChIKey | DFWIEYMLVUARBW-UHFFFAOYSA-N |
| INCHI | 1S/C23H25F3N4OS/c1-30(2)16-11-9-15(10-12-16)28-20(31)14-32-22-18(13-27)21(23(24,25)26)17-7-5-3-4-6-8-19(17)29-22/h9-12H,3-8,14H2,1-2H3,(H,28,31) |
| Isomeric SMILES | CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CCCCCC3)C(=C2C#N)C(F)(F)F |
| PubChem CID | 2216853 |
| Molecular Weight | 462.54 |
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 | Aniline and substituted anilines N-arylamides Dialkylarylamines Alkylarylthioethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Aryl thioether - Alkylarylthioether - Pyridine - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Sulfenyl compound - Thioether - Nitrile - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Alkyl halide - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic 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 | 462.500 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 462.17 Da |
| Monoisotopic Mass | 462.17 Da |
| Topological Polar Surface Area | 94.300 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 672.000 |
| 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-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl]sulfanyl]-N-[4-(dimethylamino)phenyl]acetamide - ≥90% , CAS No.626228-70-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)