≥95% 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 | C1=CC=C(C=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)O |
|---|---|
| IUPAC Name | 3-[[2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid |
| InChIKey | XUQMMNGYEROGAT-UHFFFAOYSA-N |
| INCHI | 1S/C18H15N3O4S/c22-15(19-13-8-4-5-11(9-13)17(24)25)10-14-16(23)21-18(26-14)20-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,19,22)(H,24,25)(H,20,21,23) |
| Molecular Weight | 369.400 |
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 | Anilides Benzoic acids N-arylamides Aniline and substituted anilines Benzoyl derivatives Thiazolines Secondary carboxylic acid amides N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - N-arylamide - Aniline or substituted anilines - Meta-thiazoline - Carboxamide group - Isothiourea - Secondary carboxylic acid amide - N-acylimine - Carboxylic acid - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Aromatic heteromonocyclic 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 | 369.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 369.078 Da |
| Monoisotopic Mass | 369.078 Da |
| Topological Polar Surface Area | 133.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 589.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-{2-[4-Oxo-2-(phenylamino)-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoic acid - ≥95% , CAS No.101466-26-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)