Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC) 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.
| Pubchem Sid | 504753131 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753131 |
| Canonical Smiles | CSC1=NC2=CC=CC=C2N1 |
| IUPAC Name | 2-methylsulfanyl-1H-benzimidazole |
| InChIKey | OCKJFOHZLXIAAT-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2S/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10) |
| Isomeric SMILES | CSC1=NC2=CC=CC=C2N1 |
| WGK Germany | 3 |
| RTECS | DD9480000 |
| Molecular Weight | 164.23 |
| Reaxy-Rn | 122360 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122360&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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Alkylarylthioethers Benzenoids Imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aryl thioether - Alkylarylthioether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen 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 |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jan 12, 2026 | M158011 | |
| Certificate of Analysis | Jan 12, 2026 | M158011 | |
| Certificate of Analysis | Jan 12, 2026 | M158011 | |
| Certificate of Analysis | Jan 12, 2026 | M158011 | |
| Certificate of Analysis | Aug 11, 2023 | M158011 | |
| Certificate of Analysis | Dec 28, 2022 | M158011 | |
| Certificate of Analysis | Feb 16, 2022 | M158011 | |
| Certificate of Analysis | Feb 16, 2022 | M158011 |
| Melt Point(°C) | 202 °C |
|---|---|
| Molecular Weight | 164.230 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.041 Da |
| Monoisotopic Mass | 164.041 Da |
| Topological Polar Surface Area | 54.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 |