| CAS No. | 55294-10-5 |
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-Methyl-1-(2-(phenylthio)ethyl)-1H-pyrazol-5(4H)-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Methyl-1-(2-(phenylthio)ethyl)-1H-pyrazol-5(4H)-one (CAS 55294-10-5), molecular formula C12H14N2OS and molecular weight 234.32 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 3-Methyl-1-(2-(phenylthio)ethyl)-1H-pyrazol-5(4H)-one is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 234.32 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C12H14N2OS |
| Molecular Weight | 234.32 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |