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 | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCOC |
|---|---|
| IUPAC Name | 7-(2-methoxyethyl)-3-methyl-8-phenacylsulfanylpurine-2,6-dione |
| InChIKey | BPYGKKGHRLPVAA-UHFFFAOYSA-N |
| INCHI | 1S/C17H18N4O4S/c1-20-14-13(15(23)19-16(20)24)21(8-9-25-2)17(18-14)26-10-12(22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,19,23,24) |
| Molecular Weight | 374.4 |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Xanthines 6-oxopurines Alkaloids and derivatives Aryl alkyl ketones Benzoyl derivatives Pyrimidones Alkylarylthioethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Azacyclic compounds Dialkyl ethers Organic oxides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Purine - Alkaloid or derivatives - Imidazopyrimidine - Aryl thioether - Benzoyl - Aryl alkyl ketone - Alkylarylthioether - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 374.400 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 374.105 Da |
| Monoisotopic Mass | 374.105 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 555.000 |
| 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 |
