≥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(C2=C(C3=C4N1C(=O)C(=O)C4=CC(=C3)OC)C(=S)SS2)C |
|---|---|
| IUPAC Name | 13-methoxy-7,7-dimethyl-3-sulfanylidene-4,5-dithia-8-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione |
| InChIKey | MQPQQCFOEPRGTC-UHFFFAOYSA-N |
| INCHI | 1S/C15H11NO3S3/c1-15(2)12-9(14(20)22-21-12)7-4-6(19-3)5-8-10(7)16(15)13(18)11(8)17/h4-5H,1-3H3 |
| Isomeric SMILES | CC1(C2=C(C3=C4N1C(=O)C(=O)C4=CC(=C3)OC)C(=S)SS2)C |
| PubChem CID | 1576960 |
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 | Indoles and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Aryl ketones Anisoles Alkyl aryl ethers 1,2-dithiole-3-thiones Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Anisole - Aryl ketone - Alkyl aryl ether - 1,2-dithiole-3-thione - Benzenoid - Tertiary carboxylic acid amide - 1,2-dithiole - Dithiole - Heteroaromatic compound - Vinylogous amide - Lactam - Ketone - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| Molecular Weight | 349.500 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 348.99 Da |
| Monoisotopic Mass | 348.99 Da |
| Topological Polar Surface Area | 129.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 642.000 |
| 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 |
![2-Methoxy-7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione - ≥95% CAS No(488862-00-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/1/M1022497.jpg)