S-ethyl (5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridin-3-yl)carbamothioate CAS 303995-29-1
| CAS No. | 303995-29-1 |
| Molecular Formula | C16H11F3N2O3S |
| Molecular Weight | 368.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of S-ethyl (5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridin-3-yl)carbamothioate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
S-ethyl (5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridin-3-yl)carbamothioate (CAS 303995-29-1), molecular formula C16H11F3N2O3S and molecular weight 368.33 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of S-ethyl (5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridin-3-yl)carbamothioate (C16H11F3N2O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C16H11F3N2O3S |
| Molecular Weight | 368.33 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- Ethyl 1-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 955966-81-1)
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