≥98% 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 | COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
|---|---|
| IUPAC Name | methyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate |
| InChIKey | TYDSPPLWDWADRE-UHFFFAOYSA-N |
| INCHI | 1S/C17H14N2O6S/c1-25-17(22)11-6-2-4-8-13(11)18-15(20)10-19-16(21)12-7-3-5-9-14(12)26(19,23)24/h2-9H,10H2,1H3,(H,18,20) |
| Molecular Weight | 374.400 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | Alpha amino acids and derivatives Benzoic acid esters Anilides Benzothiazoles Benzoyl derivatives N-arylamides Vinylogous amides Organosulfonic acids and derivatives Methyl esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - 1,2-benzothiazole - Anilide - Benzoyl - N-arylamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organopnictogen 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 | 374.400 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 374.057 Da |
| Monoisotopic Mass | 374.057 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 686.000 |
| 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-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}benzoate - ≥98% , CAS No.474480-20-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)