5-((4-(Tert-butyl)phenyl)thio)-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile CAS 321998-38-3
| CAS No. | 321998-38-3 |
| Molecular Formula | C21H21N3S |
| Molecular Weight | 347.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 347.48 g/mol gives 5-((4-(Tert-butyl)phenyl)thio)-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-((4-(Tert-butyl)phenyl)thio)-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile (CAS 321998-38-3) is a high-purity analytical reference standard with the molecular formula C21H21N3S and a molecular weight of 347.48 g/mol.
Structurally, 5-((4-(Tert-butyl)phenyl)thio)-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile (C21H21N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 347.48 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 5-((4-(Tert-butyl)phenyl)thio)-1-methyl-3-phenyl-1H-pyrazole-4-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H21N3S |
| Molecular Weight | 347.48 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- 4-Butyl-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)cyclohexane-1-carboxamide (CAS 946250-09-5)
- N-(2-Aminoethyl)-N-(2-cyclopentylethyl)isoquinoline-5-sulfonamide (CAS 651307-24-3)
- 4-[(4-Methylphenyl)sulfanyl]-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine (CAS 339018-77-8)
- Tris(4-formylphenyl)amine (CAS 119001-43-3)
- tert-Butyl ((1-benzyl-4-methylpiperidin-4-yl)methyl)carbamate (CAS 1345728-58-6)
- 2-Phenyl-3-(piperidin-1-yl)propan-1-ol (CAS 802559-15-5)
- 2,5-diiodo-1-methyl-1H-imidazole (CAS 86026-81-5)
- 3-methoxybutan-2-one (CAS 17742-05-1)
- Ezetimibe Hydroxy tert-Butyldiphenylsilyl Ether (CAS 1217748-67-8)
- 3-(4-Chloro-2-fluoro-5-methylphenyl)-5-(trifluoromethyl)isoxazole (CAS 653569-92-7)
- 3-(4-(2-(Azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-3H-indol-5-ol (CAS 2205073-29-4)
- 4-(2-Chloro-5-fluorophenoxy)butanenitrile (CAS 1379351-38-8)
- cis-3-(aminomethyl)cyclopentanol (CAS 55843-53-3)
- Exenatide (CAS 141758-74-9)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com