Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Pubchem Sid | 504773294 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773294 |
| Canonical Smiles | C1=CC(=C(C(=C1)Cl)N=C2NC(=O)C(=CC3=CC4=NC=CN=C4C=C3)S2)Cl |
| IUPAC Name | (5Z)-2-(2,6-dichlorophenyl)imino-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidin-4-one |
| InChIKey | RJPNRXFBYZVRIB-DHDCSXOGSA-N |
| INCHI | 1S/C18H10Cl2N4OS/c19-11-2-1-3-12(20)16(11)23-18-24-17(25)15(26-18)9-10-4-5-13-14(8-10)22-7-6-21-13/h1-9H,(H,23,24,25)/b15-9- |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)N=C2NC(=O)/C(=C/C3=CC4=NC=CN=C4C=C3)/S2)Cl |
| Molecular Weight | 401.27 |
| Reaxy-Rn | 15519163 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15519163&ln= |
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 | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoxalines |
| Alternative Parents | Aniline and substituted anilines Dichlorobenzenes Pyrazines Aryl chlorides Thiazolines Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoxaline - 1,3-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazine - Heteroaromatic compound - Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 04, 2025 | G302093 | |
| Certificate of Analysis | Sep 04, 2025 | G302093 | |
| Certificate of Analysis | Sep 04, 2025 | G302093 | |
| Certificate of Analysis | Sep 04, 2025 | G302093 | |
| Certificate of Analysis | Sep 04, 2025 | G302093 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 40.13, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 401.300 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 399.995 Da |
| Monoisotopic Mass | 399.995 Da |
| Topological Polar Surface Area | 92.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 604.000 |
| 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 |