1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde CAS 3613-13-6
| CAS No. | 3613-13-6 |
| Molecular Formula | C20H22N2O2S |
| Molecular Weight | 354.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde (CAS 3613-13-6), molecular formula C20H22N2O2S and molecular weight 354.47 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H22N2O2S, 1-((2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthene-4-carbaldehyde contains a steroid 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 354.47 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).
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.
Physical & Chemical Properties
| Molecular Formula | C20H22N2O2S |
| Molecular Weight | 354.47 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (4-Ethoxyphenyl)(2-((2-methylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone (CAS 851801-06-4)
- 2-((Perchlorophenyl)thio)acetohydrazide (CAS 89978-39-2)
- (S)-1-Isopropyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid (CAS 124799-00-4)
- 3-(Methoxycarbonyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid (CAS 306935-16-0)
- 6-fluoro-2-oxo-3H-1,3-benzoxazole-4-carboxylic acid (CAS 2387596-43-0)
- Terbutaline Impurity 31 HBr (CAS 2459974-80-0)
- 1-(bromomethyl)-3-phenoxy-benzene (CAS 51632-16-7)
- 2-(3,4-Dihydroisoquinolin-1-ylmethyl)isoindole-1,3-dione (CAS 88422-83-7)
- Cyclobutylmethyl 4-piperidinylmethyl etherhydrochloride (CAS 1219979-37-9)
- 1-[3-(Trifluoromethyl)phenyl]ethanol (CAS 454-91-1)
- O-(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) O,O-dihydrogen phosphorothioate (CAS 19341-57-2)
- Semaglutide Impurity 160 (x TFA Salt) (CAS CATO-C4X-2226160)
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