≥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 | CCOC(=O)C(C)SC1=NC=C(C=N1)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | ethyl 2-[5-(4-chlorophenyl)pyrimidin-2-yl]sulfanylpropanoate |
| InChIKey | OJPNKQSLSRVERW-UHFFFAOYSA-N |
| INCHI | 1S/C15H15ClN2O2S/c1-3-20-14(19)10(2)21-15-17-8-12(9-18-15)11-4-6-13(16)7-5-11/h4-10H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C(C)SC1=NC=C(C=N1)C2=CC=C(C=C2)Cl |
| PubChem CID | 3416713 |
| Molecular Weight | 322.81 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 5-phenylpyrimidine - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Molecular Weight | 322.800 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 322.054 Da |
| Monoisotopic Mass | 322.054 Da |
| Topological Polar Surface Area | 77.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 330.000 |
| 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 |
![Ethyl 2-{[5-(4-chlorophenyl)-2-pyrimidinyl]sulfanyl}propanoate - ≥90% , CAS No.344281-64-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)