3-tert-Butyl-5-isothiocyanato-1-phenyl-1H-pyrazole CAS 1349716-94-4
| CAS No. | 1349716-94-4 |
| Molecular Formula | C14H15N3S |
| Molecular Weight | 257.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-tert-Butyl-5-isothiocyanato-1-phenyl-1H-pyrazole.
3-tert-Butyl-5-isothiocyanato-1-phenyl-1H-pyrazole (CAS 1349716-94-4), molecular formula C14H15N3S and molecular weight 257.35 g/mol, is a CATO reference standard with documented purity and traceability.
3-tert-Butyl-5-isothiocyanato-1-phenyl-1H-pyrazole (C14H15N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. Its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C14H15N3S |
| Molecular Weight | 257.35 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- N-(benzo[b]thiophen-3-ylmethyl)-2-(1H-pyrazol-1-yl)ethan-1-amine (CAS 1333807-42-3)
- 3-Isobutyl-5-isothiocyanato-1-phenyl-1H-pyrazole (CAS 1349718-51-9)
- 6-Benzyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CAS 1330755-77-5)
- rel-tert-Butyl (4aR,7aS)-4-oxohexahydrothiopyrano[2,3-c]pyrrole-6(2H)-carboxylate (CAS 1350475-47-6)
- 5-(1,3-Dimethyl-1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-amine (CAS 1170966-72-9)
- 1-[2-(5-Benzyloxy-2-nitrophenyl)vinyl]pyrrolidine (CAS 303187-63-5)
- Oleyl Stearate (CAS 17673-50-6)
- 5-Methoxy-3-(2-(methylthio)ethyl)benzo[d]thiazol-2(3H)-imine hydrochloride (CAS 2034157-16-7)
- 4-Hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-Dioxide (CAS 24683-22-5)
- (S)-1-Hydroxy-2,3-dihydro-1H-indene-4-carbonitrile (CAS 125225-26-5)
- N-(4-(Methoxymethyl)-2-oxo-1,2-dihydroquinolin-7-yl)-2-phenylthiazole-4-carboxamide (CAS 1251687-12-3)
- 2-Benzyl-3,4-dimethyl-2H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 1018126-53-8)
- Hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide (CAS 121776-32-7)
- Insulin Degludec Impurity 12 (CAS CATO-C4X-215712)
Why CATO?
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