≥90% 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 | CCOC(=O)C1=CN=C(N=C1SC2=C(C=CC(=C2)Cl)Cl)SC |
|---|---|
| IUPAC Name | ethyl 4-(2,5-dichlorophenyl)sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate |
| InChIKey | SCDMKUOHAGORJT-UHFFFAOYSA-N |
| INCHI | 1S/C14H12Cl2N2O2S2/c1-3-20-13(19)9-7-17-14(21-2)18-12(9)22-11-6-8(15)4-5-10(11)16/h4-7H,3H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)C1=CN=C(N=C1SC2=C(C=CC(=C2)Cl)Cl)SC |
| PubChem CID | 1484740 |
| Molecular Weight | 375.3 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Pyrimidinecarboxylic acids Thiophenol ethers Dichlorobenzenes Alkylarylthioethers Vinylogous thioesters Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diarylthioether - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - 1,4-dichlorobenzene - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Aryl chloride - Benzenoid - Vinylogous thioester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 375.300 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 373.972 Da |
| Monoisotopic Mass | 373.972 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 379.000 |
| 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 |
![Ethyl 4-[(2,5-dichlorophenyl)sulfanyl]-2-(methylsulfanyl)-5-pyrimidinecarboxylate - ≥90% , CAS No.339019-47-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)