≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1=C(C=CN=C1CN2C3=CC=CC=C3N=C2SCC4=NC=CC(=C4C)OCC(F)(F)F)OCC(F)(F)F |
|---|---|
| IUPAC Name | 1-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]benzimidazole |
| InChIKey | YUCQMNLWRFIFNG-UHFFFAOYSA-N |
| INCHI | 1S/C25H22F6N4O2S/c1-15-18(32-9-7-21(15)36-13-24(26,27)28)11-35-20-6-4-3-5-17(20)34-23(35)38-12-19-16(2)22(8-10-33-19)37-14-25(29,30)31/h3-10H,11-14H2,1-2H3 |
| Isomeric SMILES | CC1=C(C=CN=C1CN2C3=CC=CC=C3N=C2SCC4=NC=CC(=C4C)OCC(F)(F)F)OCC(F)(F)F |
| PubChem CID | 71750634 |
| Molecular Weight | 556.52 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Methylpyridines Alkylarylthioethers Alkyl aryl ethers N-substituted imidazoles Benzenoids Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aryl thioether - Alkyl aryl ether - Methylpyridine - Alkylarylthioether - Benzenoid - N-substituted imidazole - Pyridine - Azole - Heteroaromatic compound - Imidazole - Ether - Azacycle - Sulfenyl compound - Thioether - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 556.500 g/mol |
|---|---|
| XLogP3 | 6.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 9 |
| Exact Mass | 556.137 Da |
| Monoisotopic Mass | 556.137 Da |
| Topological Polar Surface Area | 87.400 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 748.000 |
| 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 |
![N-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl Lansoprazole Sulfide - ≥95% , CAS No.1083100-27-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)