4-Isothiocyanato-3,5-dimethyl-1-(4-methyl-benzyl)-1h-pyrazole CAS 1004193-56-9
| CAS No. | 1004193-56-9 |
| Molecular Formula | C14H15N3S |
| Molecular Weight | 257.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Isothiocyanato-3,5-dimethyl-1-(4-methyl-benzyl)-1h-pyrazole (CAS 1004193-56-9) is a high-purity analytical reference standard with the molecular formula C14H15N3S and a molecular weight of 257.35 g/mol.
The molecular framework of 4-Isothiocyanato-3,5-dimethyl-1-(4-methyl-benzyl)-1h-pyrazole (C14H15N3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.) | 1988 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Isothiocyanato Standards
- 4-Isothiocyanato-3,5-dimethyl-1-(3-methyl-benzyl)-1h-pyrazole (CAS 1004193-39-8)
- 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1h-pyrazole (CAS 1004193-68-3)
- 4-Isothiocyanato-N-propylbenzenesulfonamide (CAS 102074-75-9)
- 1-Isothiocyanato-PEG3-azide (CAS 1310686-23-7)
- Methyl 2-isothiocyanato-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 588694-54-6)
- Methyl 2-isothiocyanato-4,5-dimethoxybenzoate (CAS 113417-46-2)
- 9-Ethyl-3-isothiocyanato-9H-carbazole (CAS 95756-56-2)
- 1-Isothiocyanato-2-nitro-4-(trifluoromethyl)benzene (CAS 137935-40-1)
Recommended Standards
- Methaqualon-D7 (CAS 136765-41-8)
- 4-(tert-Butyl)-N-(3-fluorobenzyl)aniline (CAS 1036463-19-0)
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- 4-(tert-Butyl)-N-(4-fluorobenzyl)aniline (CAS 1041549-32-9)
- 7-Chloro-2-(4-isobutylphenyl)-8-methylquinoline-4-carbonyl chloride (CAS 1160256-36-9)
- Cyclobutyl(4-ethoxyphenyl)methanamine (CAS 1020935-84-5)
- 1-(1-Ethyl-1h-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione (CAS 1006329-10-7)
- 2,2-Difluoro-N-methoxy-N-methylpropanamide (CAS 608537-54-8)
- (Propan-2-yl)[2-(1,3-thiazol-2-yl)ethyl]amine (CAS 1225627-16-6)
- trans-1-tert-Butyl 3-Methyl 4-aminopyrrolidine-1,3-dicarboxylate (CAS 1903173-34-1)
- (2-Fluoro-5-(trifluoromethyl)phenyl)methanesulfonyl chloride (CAS 501697-75-2)
- 4-(2,2-Dimethyl-1,3-dioxolan-4-yl)hexahydrofuro[3,4-b]furan-2-ol (CAS 113331-71-8)
- 1-Bromo-8-(difluoromethoxy)naphthalene (CAS 1261491-76-2)
- Neuropeptide W-23 (human) (CAS 383415-79-0)
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