| CAS No. | 946758-56-1 |
| Molecular Formula | C12H14N4OS |
| Molecular Weight | 262.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-m-tolyl-acetamide (CAS 946758-56-1) is a high-purity analytical reference standard with the molecular formula C12H14N4OS and a molecular weight of 262.33 g/mol.
Based on its molecular formula C12H14N4OS, 2-(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-N-m-tolyl-acetamide contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 262.33 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.
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 | C12H14N4OS |
| Molecular Weight | 262.33 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |