| CAS No. | 590376-67-3 |
| Molecular Formula | C8H13N3S |
| Molecular Weight | 183.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 183.27 g/mol gives 4-Allyl-5-isopropyl-4H-1,2,4-triazole-3-thiol 590376-67-3 6301AE C8H13N3S distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Allyl-5-isopropyl-4H-1,2,4-triazole-3-thiol 590376-67-3 6301AE C8H13N3S (CAS 590376-67-3) is a high-purity analytical reference standard with the molecular formula C8H13N3S and a molecular weight of 183.27 g/mol.
The molecular framework of 4-Allyl-5-isopropyl-4H-1,2,4-triazole-3-thiol 590376-67-3 6301AE C8H13N3S (C8H13N3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. 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 | C8H13N3S |
| Molecular Weight | 183.27 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.) | 1984 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |