≥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=NN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC(=CC=C3)OC)C(F)(F)F)C#N |
|---|---|
| IUPAC Name | 2-[3-cyano-6-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide |
| InChIKey | MQHOYYXPKISNKM-UHFFFAOYSA-N |
| INCHI | 1S/C20H16F3N5O2S2/c1-3-17-27-28-19(32-17)26-16(29)10-31-18-13(9-24)14(20(21,22)23)8-15(25-18)11-5-4-6-12(7-11)30-2/h4-8H,3,10H2,1-2H3,(H,26,28,29) |
| Isomeric SMILES | CCC1=NN=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC(=CC=C3)OC)C(F)(F)F)C#N |
| PubChem CID | 1634233 |
| Molecular Weight | 479.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | 3-pyridinecarbonitriles Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Thiadiazoles Secondary carboxylic acid amides Nitriles Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - Anisole - Phenol ether - N-arylamide - 3-pyridinecarbonitrile - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 479.500 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 479.07 Da |
| Monoisotopic Mass | 479.07 Da |
| Topological Polar Surface Area | 154.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 692.000 |
| 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-(3-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide - ≥90% CAS No(625378-21-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C937246.jpg)