≥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 | C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)S3)Cl |
|---|---|
| IUPAC Name | (5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | NDPYXMPIFRXUKK-XNWCZRBMSA-N |
| INCHI | 1S/C11H6ClNO3S2/c12-6-3-8-7(15-4-16-8)1-5(6)2-9-10(14)13-11(17)18-9/h1-3H,4H2,(H,13,14,17)/b9-2+ |
| Isomeric SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C/3\C(=O)NC(=S)S3)Cl |
| PubChem CID | 1379689 |
| Molecular Weight | 299.76 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Thiazolidinethiones Benzenoids Aryl chlorides Cyclic dithiocarbamic acid esters Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Acetals Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Aryl chloride - Aryl halide - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 299.800 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 298.948 Da |
| Monoisotopic Mass | 298.948 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 429.000 |
| 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 |
![(5E)-5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one - ≥95% CAS No(292172-54-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/1/E1018918.jpg)