5-Isothiocyanato-1-methyl-1H-pyrazole CAS 114874-31-6
| CAS No. | 114874-31-6 |
| Molecular Formula | C5H5N3S |
| Molecular Weight | 139.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 5-Isothiocyanato-1-methyl-1H-pyrazole (CAS 114874-31-6), a certified reference material (molecular formula C5H5N3S, MW 139.18 g/mol) for analytical method development and quality control.
5-Isothiocyanato-1-methyl-1H-pyrazole (C5H5N3S) contains a nitrile group, sulfur-containing functionality. Its physicochemical properties are representative of its class; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C5H5N3S |
| Molecular Weight | 139.18 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 |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Isothiocyanato Standards
- 4-Isothiocyanato-1-methyl-1H-pyrazole (CAS 1001500-53-3)
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- 2-Isothiocyanato-1-methyl-1H-imidazole (CAS 947312-04-1)
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- 1-isothiocyanato-2-(methylsulfanyl)ethane (CAS 4430-37-9)
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