≥95% 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.
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O |
|---|---|
| IUPAC Name | 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoic acid |
| InChIKey | AASLVPZFEXZXTO-UHFFFAOYSA-N |
| INCHI | 1S/C17H15NO5S/c1-23-17(22)11-6-8-12(9-7-11)18-15(19)10-24-14-5-3-2-4-13(14)16(20)21/h2-9H,10H2,1H3,(H,18,19)(H,20,21) |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O |
| PubChem CID | 4402316 |
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 | 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 O-sulfanylbenzoic acids Anilides Benzoic acids Thiophenol ethers N-arylamides Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Carboxylic acids Sulfenyl compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzoate ester - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoic acid - Anilide - Aryl thioether - Benzoyl - N-arylamide - Thiophenol ether - Alkylarylthioether - Dicarboxylic acid or derivatives - Vinylogous thioester - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Aromatic homomonocyclic 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 | 345.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 345.067 Da |
| Monoisotopic Mass | 345.067 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 462.000 |
| 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-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid - ≥95% , CAS No.326015-91-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)