| CAS No. | 205246-65-7 |
| Molecular Formula | C6H7N3S |
| Molecular Weight | 153.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 5-Isothiocyanato-1,3-dimethyl-1H-pyrazole is closely related to a nitrile group, sulfur-containing functionality, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 5-Isothiocyanato-1,3-dimethyl-1H-pyrazole (CAS 205246-65-7), a certified reference material (molecular formula C6H7N3S, MW 153.20 g/mol) for analytical method development and quality control.
Based on its molecular formula C6H7N3S, 5-Isothiocyanato-1,3-dimethyl-1H-pyrazole contains a nitrile group, sulfur-containing functionality, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 153.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C6H7N3S |
| Molecular Weight | 153.20 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2015 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |