≥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)N2C3=CC=CC=C3SC4=CC=CC=C42 |
|---|---|
| IUPAC Name | 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylbenzoic acid |
| InChIKey | WLLYJAYQYUTTET-UHFFFAOYSA-N |
| INCHI | 1S/C21H15NO3S2/c23-20(13-26-17-10-4-1-7-14(17)21(24)25)22-15-8-2-5-11-18(15)27-19-12-6-3-9-16(19)22/h1-12H,13H2,(H,24,25) |
| Molecular Weight | 393.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiazines |
| Subclass | Phenothiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenothiazines |
| Alternative Parents | Diarylthioethers O-sulfanylbenzoic acids Benzoic acids Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters 1,4-thiazines Tertiary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenothiazine - Diarylthioether - O-sulfanylbenzoic acid - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 393.500 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 393.049 Da |
| Monoisotopic Mass | 393.049 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 536.000 |
| 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-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid - ≥95% , CAS No.540773-86-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)