≥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 | C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)SC4=CC=CC=C4)C#N |
|---|---|
| IUPAC Name | 2,4-diphenyl-6-phenylsulfanylpyrimidine-5-carbonitrile |
| InChIKey | DHXBNZQBLDWRDL-UHFFFAOYSA-N |
| INCHI | 1S/C23H15N3S/c24-16-20-21(17-10-4-1-5-11-17)25-22(18-12-6-2-7-13-18)26-23(20)27-19-14-8-3-9-15-19/h1-15H |
| Isomeric SMILES | C1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)SC4=CC=CC=C4)C#N |
| PubChem CID | 3816338 |
| Molecular Weight | 365.46 |
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 | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrimidines |
| Alternative Parents | Diarylthioethers Thiophenol ethers Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 4-phenylpyrimidine - Diarylthioether - Aryl thioether - Thiophenol ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Azacycle - Organosulfur compound - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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 | 365.500 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 365.099 Da |
| Monoisotopic Mass | 365.099 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 497.000 |
| 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 |
