| CAS No. | 2417676-76-5 |
| Molecular Formula | C21H15NO2S |
| Molecular Weight | 345.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 345.41 g/mol gives (Z)-1,4-Dioxo-1,4-diphenyl-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(Z)-1,4-Dioxo-1,4-diphenyl-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate (CAS 2417676-76-5), molecular formula C21H15NO2S and molecular weight 345.41 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (Z)-1,4-Dioxo-1,4-diphenyl-3-(pyridin-1-ium-1-yl)but-2-ene-2-thiolate (C21H15NO2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 345.41 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C21H15NO2S |
| Molecular Weight | 345.41 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |