≥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 | CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one |
| InChIKey | POTZYZPRYJDONS-UHFFFAOYSA-N |
| INCHI | 1S/C18H15ClN2O2S/c1-2-21-17(23)14-5-3-4-6-15(14)20-18(21)24-11-16(22)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3 |
| Isomeric SMILES | CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 981677 |
| Molecular Weight | 358.85 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Quinazolines Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Diazanaphthalene - Quinazoline - Aryl thioether - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Lactam - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 358.800 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 358.054 Da |
| Monoisotopic Mass | 358.054 Da |
| Topological Polar Surface Area | 75.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 517.000 |
| 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-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-3-ethyl-3,4-dihydroquinazolin-4-one - ≥90% , CAS No.327167-70-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)