Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 2.8 |
|---|
| Pubchem Sid | 504750725 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750725 |
| Sonrisas canónicas | CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F |
| IUPAC Name | 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole |
| InChIKey | MJIHNNLFOKEZEW-UHFFFAOYSA-N |
| INCHI | 1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22) |
| Isómeros SMILES | CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F |
| WGK Alemania | 2 |
| RTECS | DD9487500 |
| Peso molecular | 369.36 |
| Reaxy-Rn | 4333393 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4333393&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 | Sulfinylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfinylbenzimidazoles |
| Alternative Parents | Methylpyridines Alkyl aryl ethers Benzenoids Imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Sulfinylbenzimidazole - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Azacycle - Sulfinyl compound - Ether - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound |
| Descripción | 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 | sulfoxide - pyridines - benzimidazoles |
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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 | Jun 09, 2026 | L129650 | |
| Certificate of Analysis | Apr 29, 2026 | L129650 | |
| Certificate of Analysis | Apr 29, 2026 | L129650 | |
| Certificate of Analysis | Apr 29, 2026 | L129650 | |
| Certificate of Analysis | Apr 29, 2026 | L129650 | |
| Certificate of Analysis | Apr 15, 2026 | L129650 | |
| Certificate of Analysis | Apr 15, 2026 | L129650 | |
| Certificate of Analysis | Apr 07, 2026 | L129650 | |
| Certificate of Analysis | Mar 20, 2026 | L129650 | |
| Certificate of Analysis | Apr 02, 2024 | L129650 | |
| Certificate of Analysis | Sep 21, 2023 | L129650 |
| Solubilidad | Solvent:1eq. HCl, Max Conc. mg/mL: 18.47, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 36.94, Max Conc. mM: 100 |
|---|---|
| Sensibilidad | air and heat sensitive; |
| Punto de fusión (°C) | 173-175°C |
| Peso molecular | 369.400 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 369.076 Da |
| Monoisotopic Mass | 369.076 Da |
| Topological Polar Surface Area | 87.100 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xun Tianrong, Rong Yan, Lv Bin, Tian Jinfei, Zhang Qing, Yang Xixiao. (2023) Interaction and potential mechanisms between atorvastatin and voriconazole, agents used to treat dyslipidemia and fungal infections. Frontiers in Pharmacology, [PMID:37251310] [10.3389/fphar.2023.1165950] |
| 2. Yuhong Liu, Jiali Liang, Jiazhen Wu, Hanbin Chen, Zhenbiao Zhang, Hongmei Yang, Liping Chen, Haiming Chen, Ziren Su, Yucui Li. (2017) Transformation of patchouli alcohol to β-patchoulene by gastric juice: β-patchoulene is more effective in preventing ethanol-induced gastric injury. Scientific Reports, [PMID:28717228] [10.1038/s41598-017-05996-5] |
| 3. Yukun Lin, Kunjing Liu, Jiahui Chen, Tingjie Li, Zijin Sun, Yifan Fan, Peng Zou, Yanting Liu, Chunyu Wang, Chongyang Ma, Xueqian Wang, Fang Lu, Fafeng Cheng, Changming Zhai. (2025) Pinellia ternata–Coptidis Rhizoma herb pair suppresses Helicobacter pylori colonization via NLRP3-mediated pyroptosis. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:41389884] [10.1016/j.jep.2025.121018] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →