≥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 | COC1=C(C=C(C=C1)Cl)C=C2C(=O)NC(=S)S2 |
|---|---|
| IUPAC Name | (5E)-5-[(5-chloro-2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | YCJQKTBKSKFQEJ-WEVVVXLNSA-N |
| INCHI | 1S/C11H8ClNO2S2/c1-15-8-3-2-7(12)4-6(8)5-9-10(14)13-11(16)17-9/h2-5H,1H3,(H,13,14,16)/b9-5+ |
| Isomeric SMILES | COC1=C(C=C(C=C1)Cl)/C=C/2\C(=O)NC(=S)S2 |
| PubChem CID | 1222411 |
| Molecular Weight | 285.77 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Thiazolidinethiones Aryl chlorides Cyclic dithiocarbamic acid esters Azacyclic compounds Carboxylic acids and derivatives Organochlorides Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organosulfur compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 285.800 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 284.968 Da |
| Monoisotopic Mass | 284.968 Da |
| Topological Polar Surface Area | 95.700 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 372.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
