≥99% 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.
| Canonical Smiles | COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)OC |
|---|---|
| IUPAC Name | methyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate |
| InChIKey | GZBULYAKSCNNPA-UHFFFAOYSA-N |
| INCHI | 1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21) |
| Molecular Weight | 371.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Benzoic acid esters Anilides Benzimidazoles N-arylamides Anisoles Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Vinylogous amides Methyl esters Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzoate ester - Benzimidazole - Anilide - Aryl thioether - Anisole - Benzoyl - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
| Molecular Weight | 371.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 371.094 Da |
| Monoisotopic Mass | 371.094 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 507.000 |
| 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 |
![methyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate - ≥99% CAS No(330951-01-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/1/M1002041.jpg)