Determine the necessary mass, volume, or concentration for preparing a solution.
≥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 | CC1=CC2=C(C=C1)C3=C(C(N2)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
|---|---|
| IUPAC Name | tetramethyl 5',5',8'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| InChIKey | AZFOECVMEWUBPW-UHFFFAOYSA-N |
| INCHI | 1S/C25H25NO8S3/c1-11-8-9-12-13(10-11)26-24(2,3)19-14(12)25(15(20(27)31-4)16(35-19)21(28)32-5)36-17(22(29)33-6)18(37-25)23(30)34-7/h8-10,26H,1-7H3 |
| Isomeric SMILES | CC1=CC2=C(C=C1)C3=C(C(N2)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
| PubChem CID | 3095067 |
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 | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiopyranoquinolines |
| Alternative Parents | Pyranoquinolines Tetracarboxylic acids and derivatives Hydroquinolones Hydroquinolines Dithioketals Secondary alkylarylamines Benzenoids Vinylogous thioesters Thiopyrans Pyrans Enoate esters Methyl esters 1,3-dithioles Amino acids and derivatives Thioenol ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranoquinoline - Thiopyranoquinoline - Tetracarboxylic acid or derivatives - Dihydroquinolone - Dihydroquinoline - Dithioketal - Secondary aliphatic/aromatic amine - Vinylogous thioester - Pyran - Benzenoid - Thiopyran - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dithiole - 1,3-dithiole - Thioacetal - Thioenolether - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Azacycle - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiopyranoquinolines. These are polycyclic compounds containing a thiopyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine. |
| External Descriptors | Not available |
| Molecular Weight | 563.700 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 563.074 Da |
| Monoisotopic Mass | 563.074 Da |
| Topological Polar Surface Area | 193.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1130.000 |
| 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 |