| CAS No. | 879618-23-2 |
| Molecular Formula | C21H13NO4S3 |
| Molecular Weight | 439.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 439.53 g/mol gives 7,7-Dimethyl-4,5-dioxo-10-thioxo-4,5,7,10-tetrahydro-[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-2-yl benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
7,7-Dimethyl-4,5-dioxo-10-thioxo-4,5,7,10-tetrahydro-[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-2-yl benzoate (CAS 879618-23-2), molecular formula C21H13NO4S3 and molecular weight 439.53 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H13NO4S3, 7,7-Dimethyl-4,5-dioxo-10-thioxo-4,5,7,10-tetrahydro-[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinolin-2-yl benzoate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 439.53 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C21H13NO4S3 |
| Molecular Weight | 439.53 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |