| CAS No. | 477857-63-9 |
| Molecular Formula | C14H14N4S2 |
| Molecular Weight | 302.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
3-((4-Methylbenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine (CAS 477857-63-9), molecular formula C14H14N4S2 and molecular weight 302.42 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H14N4S2, 3-((4-Methylbenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 302.42 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 | C14H14N4S2 |
| Molecular Weight | 302.42 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |