≥97% 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 | CSC1=NC=CC(=N1)CC(=O)C2=CC(=C(C=C2)Cl)Cl |
|---|---|
| IUPAC Name | 1-(3,4-dichlorophenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone |
| InChIKey | HNFCWKONSIUEOC-UHFFFAOYSA-N |
| INCHI | 1S/C13H10Cl2N2OS/c1-19-13-16-5-4-9(17-13)7-12(18)8-2-3-10(14)11(15)6-8/h2-6H,7H2,1H3 |
| Isomeric SMILES | CSC1=NC=CC(=N1)CC(=O)C2=CC(=C(C=C2)Cl)Cl |
| PubChem CID | 18526267 |
| Molecular Weight | 313.21 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Aryl thioether - Benzoyl - Aryl alkyl ketone - 1,2-dichlorobenzene - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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 | 313.200 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 311.989 Da |
| Monoisotopic Mass | 311.989 Da |
| Topological Polar Surface Area | 68.200 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 319.000 |
| 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 |
![1-(3,4-Dichlorophenyl)-2-[2-(methylsulfanyl)-4-pyrimidinyl]-1-ethanone - ≥97% CAS No(937604-22-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D962556.jpg)