for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
Omeprazole-d3 Sulfoneis A metabolite of Omeprazole
| Canonical Smiles | CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC |
|---|---|
| IUPAC Name | 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-6-(trideuteriomethoxy)-1H-benzimidazole |
| InChIKey | IXEQEYRTSRFZEO-HPRDVNIFSA-N |
| INCHI | 1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/i3D3 |
| Isomeric SMILES | [2H]C([2H])([2H])OC1=CC2=C(C=C1)N=C(N2)S(=O)(=O)CC3=NC=C(C(=C3C)OC)C |
| Molecular Weight | 364.43 |
| Reaxy-Rn | 24577649 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24577649&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 |
| Class | Benzimidazoles |
| Subclass | Sulfinylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfinylbenzimidazoles |
| Alternative Parents | Anisoles Methylpyridines Alkyl aryl ethers Sulfones Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Sulfinylbenzimidazole - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfone - Sulfonyl - Ether - Azacycle - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety. |
| External Descriptors | Not available |
| Solubility | Soluble in Acetonitrile, Dichloromethane and Methanol |
|---|---|
| Molecular Weight | 364.400 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 364.128 Da |
| Monoisotopic Mass | 364.128 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 553.000 |
| 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 |
