3-((4-(tert-Butyl)benzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide CAS 477868-96-5
| CAS No. | 477868-96-5 |
| Molecular Formula | C19H21NO2S2 |
| Molecular Weight | 359.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((4-(tert-Butyl)benzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide (CAS 477868-96-5) is a high-purity analytical reference standard with the molecular formula C19H21NO2S2 and a molecular weight of 359.51 g/mol.
The molecular framework of 3-((4-(tert-Butyl)benzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide (C19H21NO2S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C19H21NO2S2 |
| Molecular Weight | 359.51 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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