| CAS No. | 100114-29-2 |
| Molecular Formula | C6H6N4S |
| Molecular Weight | 166.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 166.20 g/mol gives 7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2(1H)-thione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2(1H)-thione (CAS 100114-29-2), a certified reference material (molecular formula C6H6N4S, MW 166.20 g/mol) for analytical method development and quality control.
The molecular framework of 7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2(1H)-thione (C6H6N4S) 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).
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 | C6H6N4S |
| Molecular Weight | 166.20 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |