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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4,6-tetramethyl-1-quinolinyl)ethanone , CAS No.371204-08-9
Synonyms
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-(2,2,4,6-tetramethyl-1-quinolinyl)ethanone | MLS000112906 | SMR000108814 | 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone | MLS002541029 | BDBM46855 | cid_1167733 | CHEBI:
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-[(5-phenyl-1, 3, 4-oxadiazol-2-yl)thio]-1-(2, 2, 4, 6-tetramethyl-1-quinolinyl)ethanone | MLS000112906 | SMR000108814 | 2-[(5-phenyl-1, 3, 4-oxadiazol-2-yl)sulfanyl]-1-(2, 2, 4, 6-tetramethylquinolin-1-yl)ethanone | MLS002541029 | BDBM46855 | cid_1167733 | CHEBI:
Product Properties Names and Identifiers Canonical Smiles CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4 IUPAC Name 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,2,4,6-tetramethylquinolin-1-yl)ethanone InChIKey AYQGFKIZSAKEBZ-UHFFFAOYSA-N INCHI 1S/C23H23N3O2S/c1-15-10-11-19-18(12-15)16(2)13-23(3,4)26(19)20(27)14-29-22-25-24-21(28-22)17-8-6-5-7-9-17/h5-13H,14H2,1-4H3 Isomeric SMILES CC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=NN=C(O3)C4=CC=CC=C4 PubChem CID 1167733 Molecular Weight 405.5
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Quinolines and derivatives Subclass Quinolones and derivatives Intermediate Tree Nodes Not available Direct Parent Hydroquinolones Alternative Parents Hydroquinolines Alkylarylthioethers Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Dihydroquinolone - Dihydroquinoline - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 405.500 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 405.151 Da Monoisotopic Mass 405.151 Da Topological Polar Surface Area 84.500 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 632.000 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
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