1-(2-chloro-10H-phenothiazin-10-yl)-2-(pyrimidin-2-ylsulfanyl)ethanone CAS 128175-06-4
| CAS No. | 128175-06-4 |
| Molecular Formula | C18H12ClN3OS2 |
| Molecular Weight | 385.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(2-chloro-10H-phenothiazin-10-yl)-2-(pyrimidin-2-ylsulfanyl)ethanone (CAS 128175-06-4), molecular formula C18H12ClN3OS2 and molecular weight 385.89 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H12ClN3OS2, 1-(2-chloro-10H-phenothiazin-10-yl)-2-(pyrimidin-2-ylsulfanyl)ethanone contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 385.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C18H12ClN3OS2 |
| Molecular Weight | 385.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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