| CAS No. | 869941-78-6 |
| Molecular Formula | C7H11N3S |
| Molecular Weight | 169.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Allyl-5-ethyl-4H-1,2,4-triazole-3-thiol.
4-Allyl-5-ethyl-4H-1,2,4-triazole-3-thiol (CAS 869941-78-6), molecular formula C7H11N3S and molecular weight 169.25 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Allyl-5-ethyl-4H-1,2,4-triazole-3-thiol (C7H11N3S) is characterized by a nitrile group, sulfur-containing functionality, an aromatic ring system. 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C7H11N3S |
| Molecular Weight | 169.25 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |