≥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 | C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=CC=C2OC(F)F |
|---|---|
| IUPAC Name | 2-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanylbenzoic acid |
| InChIKey | DJVDZLVOLLYFER-UHFFFAOYSA-N |
| INCHI | 1S/C16H13F2NO4S/c17-16(18)23-12-7-3-2-6-11(12)19-14(20)9-24-13-8-4-1-5-10(13)15(21)22/h1-8,16H,9H2,(H,19,20)(H,21,22) |
| Molecular Weight | 353.3 |
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 | Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives |
| Direct Parent | O-sulfanylbenzoic acids |
| Alternative Parents | Anilides Benzoic acids Thiophenol ethers Benzoyl derivatives N-arylamides Phenol ethers Phenoxy compounds Alkylarylthioethers Vinylogous thioesters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-sulfanylbenzoic acid - Benzoic acid - Anilide - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Thiophenol ether - N-arylamide - Alkylarylthioether - Vinylogous thioester - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organopnictogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 353.300 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 353.053 Da |
| Monoisotopic Mass | 353.053 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 438.000 |
| 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-[({[2-(Difluoromethoxy)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid - ≥95% , CAS No.790263-46-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)