| CAS No. | 348593-63-5 |
| Molecular Formula | C12H13N3OS |
| Molecular Weight | 247.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 247.32 g/mol gives 4-Allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 348593-63-5) is a high-purity analytical reference standard with the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol.
Structurally, 4-Allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (C12H13N3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 247.32 g/mol, it falls into the medium-molecular-weight range. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C12H13N3OS |
| Molecular Weight | 247.32 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.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |