S,S',S''-((2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tris(propane-3,1-diyl)) triethanethioate CAS 76486-41-4
| CAS No. | 76486-41-4 |
| Molecular Formula | C18H27N3O6S3 |
| Molecular Weight | 477.62 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.
S,S',S''-((2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tris(propane-3,1-diyl)) triethanethioate (CAS 76486-41-4) is a high-purity analytical reference standard with the molecular formula C18H27N3O6S3 and a molecular weight of 477.62 g/mol.
The molecular framework of S,S',S''-((2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tris(propane-3,1-diyl)) triethanethioate (C18H27N3O6S3) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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.
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 | C18H27N3O6S3 |
| Molecular Weight | 477.62 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 3 |
Recommended Standards
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