≥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 | C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 4-(benzenesulfonylmethyl)-6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidine |
| InChIKey | YHPXVULZGDJSQY-UHFFFAOYSA-N |
| INCHI | 1S/C23H17ClN2O2S2/c24-18-11-13-20(14-12-18)29-22-15-19(16-30(27,28)21-9-5-2-6-10-21)25-23(26-22)17-7-3-1-4-8-17/h1-15H,16H2 |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=CC=C4 |
| PubChem CID | 2767411 |
| Molecular Weight | 452.98 |
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 | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | Benzenesulfonyl compounds Thiophenol ethers Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Sulfones Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diarylthioether - Benzenesulfonyl group - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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 | 453.000 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 452.042 Da |
| Monoisotopic Mass | 452.042 Da |
| Topological Polar Surface Area | 93.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 622.000 |
| 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 |
![{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl phenyl sulfone - ≥90% , CAS No.303147-45-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)