≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)O |
|---|---|
| IUPAC Name | 2-(1-phenylbenzimidazol-2-yl)sulfanylacetic acid |
| InChIKey | QJUFLXCQZGILJZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H12N2O2S/c18-14(19)10-20-15-16-12-8-4-5-9-13(12)17(15)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19) |
| Isomeric SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)O |
| PubChem CID | 817611 |
| Molecular Weight | 284.34 |
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 | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Phenylimidazoles Alkylarylthioethers N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - 1-phenylimidazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 284.300 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 284.062 Da |
| Monoisotopic Mass | 284.062 Da |
| Topological Polar Surface Area | 80.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 347.000 |
| 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 |
![2-((1-Phenyl-1H-benzo[d]imidazol-2-yl)thio)acetic acid - ≥95% CAS No(93866-15-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/T/7/T735176.jpg)