for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)(C)C5=CC=CC=C5)C |
|---|---|
| IUPAC Name | 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone |
| InChIKey | DMYCYXPYRNMSNV-UHFFFAOYSA-N |
| INCHI | 1S/C30H31N5OS/c1-5-19-34-27(22-15-17-31-18-16-22)32-33-28(34)37-20-26(36)35-25-14-10-9-13-24(25)30(4,21-29(35,2)3)23-11-7-6-8-12-23/h5-18H,1,19-21H2,2-4H3 |
| Peso molecular | 509.700 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Pyridyl-1,2,4-triazoles Hydroquinolines Alkylarylthioethers Benzene and substituted derivatives Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Pyridyl-1,2,4-triazole - Pyridyltriazole - Tetrahydroquinoline - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,2,4-triazole - Triazole - Carboxamide group - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 509.700 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 509.225 Da |
| Monoisotopic Mass | 509.225 Da |
| Topological Polar Surface Area | 89.200 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 795.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone - CAS No(352659-37-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/9/P938328.jpg)