≥90% 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=CC2=C(C=C1)N=C(N2)SCC(=O)NCC3=CC=C(C=C3)OC |
|---|---|
| IUPAC Name | N-[(4-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide |
| InChIKey | BOJBISMNOKGABG-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N3O2S/c1-12-3-8-15-16(9-12)21-18(20-15)24-11-17(22)19-10-13-4-6-14(23-2)7-5-13/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21) |
| Molecular Weight | 341.400 |
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 | Phenoxy compounds Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Ether - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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 | 341.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 341.12 Da |
| Monoisotopic Mass | 341.12 Da |
| Topological Polar Surface Area | 92.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 415.000 |
| 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-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide - ≥90% , CAS No.330950-80-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)