≥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 | CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
|---|---|
| IUPAC Name | 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoic acid |
| InChIKey | SCXAUDOXQHFBOC-UHFFFAOYSA-N |
| INCHI | 1S/C11H8N2O4S2/c1-6-5-18-11(12-6)19-9-3-2-7(13(16)17)4-8(9)10(14)15/h2-5H,1H3,(H,14,15) |
| Isomeric SMILES | CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| PubChem CID | 2433196 |
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 | Nitrobenzoic acids and derivatives |
| Alternative Parents | Diarylthioethers O-sulfanylbenzoic acids Benzoic acids Nitrobenzenes Thiophenol ethers Benzoyl derivatives Nitroaromatic compounds 2,4-disubstituted thiazoles Vinylogous thioesters Heteroaromatic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzoate - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - 2,4-disubstituted 1,3-thiazole - Vinylogous thioester - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 296.300 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 295.993 Da |
| Monoisotopic Mass | 295.993 Da |
| Topological Polar Surface Area | 150.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 363.000 |
| 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-Methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoic acid - ≥95% , CAS No.565179-69-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)