| CAS No. | 16992-40-8 |
| Molecular Formula | C5H9N3OS |
| Molecular Weight | 159.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 159.21 g/mol gives 6,6-Dimethyl-3-sulfanylidene-1,2,4-triazinan-5-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6,6-Dimethyl-3-sulfanylidene-1,2,4-triazinan-5-one (CAS 16992-40-8), molecular formula C5H9N3OS and molecular weight 159.21 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6,6-Dimethyl-3-sulfanylidene-1,2,4-triazinan-5-one (C5H9N3OS) contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 159.21 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H9N3OS |
| Molecular Weight | 159.21 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1961 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |