≥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=NC(=C1)C2=NC(=CC(=O)N2)CSC3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | 4-[(4-chlorophenyl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one |
| InChIKey | IWNUQKTYIYGTEN-UHFFFAOYSA-N |
| INCHI | 1S/C16H12ClN3OS/c17-11-4-6-13(7-5-11)22-10-12-9-15(21)20-16(19-12)14-3-1-2-8-18-14/h1-9H,10H2,(H,19,20,21) |
| Isomeric SMILES | C1=CC=NC(=C1)C2=NC(=CC(=O)N2)CSC3=CC=C(C=C3)Cl |
| PubChem CID | 135457059 |
| Molecular Weight | 329.81 |
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 | Pyridinylpyrimidines |
| Alternative Parents | Thiophenol ethers Alkylarylthioethers Pyrimidones Chlorobenzenes Aryl chlorides Pyridines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpyrimidine - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
| Molecular Weight | 329.800 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.039 Da |
| Monoisotopic Mass | 329.039 Da |
| Topological Polar Surface Area | 79.700 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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]methyl}-2-(2-pyridinyl)-4-pyrimidinol - ≥90% , CAS No.337923-15-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)