| CAS No. | 730986-61-5 |
| Molecular Formula | C13H15N3O3S |
| Molecular Weight | 293.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
2-((2-Cyanoethyl)(methyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 730986-61-5), molecular formula C13H15N3O3S and molecular weight 293.34 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H15N3O3S, 2-((2-Cyanoethyl)(methyl)amino)-2-oxoethyl 2-(methylthio)nicotinate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 293.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 2-((2-Cyanoethyl)(methyl)amino)-2-oxoethyl 2-(methylthio)nicotinate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C13H15N3O3S |
| Molecular Weight | 293.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |