≥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 | CCOC1=CC2=C(C=C1)NC(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C |
|---|---|
| IUPAC Name | tetramethyl 9'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate |
| InChIKey | JYBDTMJCZXDIGW-UHFFFAOYSA-N |
| INCHI | 1S/C26H27NO9S3/c1-8-36-12-9-10-14-13(11-12)15-20(25(2,3)27-14)37-17(22(29)33-5)16(21(28)32-4)26(15)38-18(23(30)34-6)19(39-26)24(31)35-7/h9-11,27H,8H2,1-7H3 |
| Isomeric SMILES | CCOC1=CC2=C(C=C1)NC(C3=C2C4(C(=C(S3)C(=O)OC)C(=O)OC)SC(=C(S4)C(=O)OC)C(=O)OC)(C)C |
| PubChem CID | 3091945 |
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 Phenol ethers Alkyl aryl ethers Dithioketals Secondary alkylarylamines Thiopyrans Vinylogous thioesters Pyrans Methyl esters Enoate esters 1,3-dithioles Thioenol ethers Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranoquinoline - Thiopyranoquinoline - Tetracarboxylic acid or derivatives - Dihydroquinolone - Dihydroquinoline - Phenol ether - Alkyl aryl ether - Dithioketal - Secondary aliphatic/aromatic amine - Thiopyran - Vinylogous thioester - Benzenoid - Pyran - Dithiole - 1,3-dithiole - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thioacetal - Thioenolether - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen 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 | 593.700 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 10 |
| Exact Mass | 593.085 Da |
| Monoisotopic Mass | 593.085 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 1160.000 |
| 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 |
![Tetramethyl 9'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate - ≥95% , CAS No.301655-50-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)