for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C Ships Hielo húmedo 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.
Un metabolito del Omeprazol.
| Sonrisas canónicas | CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC |
|---|---|
| IUPAC Name | 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6-(trideuteriomethoxy)-1H-benzimidazole |
| InChIKey | XURCIPRUUASYLR-HPRDVNIFSA-N |
| INCHI | 1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3 |
| Isómeros SMILES | [2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)SCC3=NC=C(C(=C3C)OC)C |
| Peso molecular | 332.44 |
| Reaxy-Rn | 6429348 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6429348&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 | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Anisoles Methylpyridines Alkylarylthioethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Alkylarylthioether - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Imidazole - Azacycle - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Solubilidad | Soluble in Chloroform, Ethyl Acetate and Methanol |
|---|---|
| Peso molecular | 332.400 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 332.139 Da |
| Monoisotopic Mass | 332.139 Da |
| Topological Polar Surface Area | 85.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| Isotope Atom Count | 3 |
| 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 |
