Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads 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.
| ALogP | 1.6 |
|---|
| Pubchem Sid | 504753677 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753677 |
| Sonrisas canónicas | CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC |
| IUPAC Name | 4-methyl-5-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one |
| InChIKey | ZJKNESGOIKRXQY-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16) |
| Isómeros SMILES | CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC |
| WGK Alemania | 3 |
| Peso molecular | 248.3 |
| Reaxy-Rn | 5036229 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5036229&ln= |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Thiophenol ethers Benzoyl derivatives Carbonylimidazoles Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Ureas Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-phenylketone - Aryl thioether - Benzoyl - Thiophenol ether - Imidazole-4-carbonyl group - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Oct 24, 2024 | E288770 | |
| Certificate of Analysis | Oct 24, 2024 | E288770 | |
| Certificate of Analysis | Oct 24, 2024 | E288770 | |
| Certificate of Analysis | Oct 24, 2024 | E288770 | |
| Certificate of Analysis | Oct 24, 2024 | E288770 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 24.83, Max Conc. mM: 100 |
|---|---|
| Sensibilidad | Air Sensitive |
| Punto de fusión (°C) | 270 °C |
| Peso molecular | 248.300 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.062 Da |
| Monoisotopic Mass | 248.062 Da |
| Topological Polar Surface Area | 83.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →