5-((4-Chlorophenyl)thio)-4-(((2,6-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole CAS 318951-85-8
| CAS No. | 318951-85-8 |
| Molecular Formula | C23H17Cl3N2S2 |
| Molecular Weight | 491.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-((4-Chlorophenyl)thio)-4-(((2,6-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-((4-Chlorophenyl)thio)-4-(((2,6-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole (CAS 318951-85-8), molecular formula C23H17Cl3N2S2 and molecular weight 491.88 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C23H17Cl3N2S2, 5-((4-Chlorophenyl)thio)-4-(((2,6-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 491.88 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 5-((4-Chlorophenyl)thio)-4-(((2,6-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole 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 | C23H17Cl3N2S2 |
| Molecular Weight | 491.88 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 5-(3-(2-Chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamide (CAS 1089278-50-1)
- Cefoxazole (CAS 36920-48-6)
- N-(Cyanomethyl)-2-nitrobenzamide (CAS 13297-44-4)
- 4-Chlorophenyl Benzoate (CAS 2005-08-5)
- 4-Hydroxy-7-(naphthalen-2-ylmethoxy)quinoline-3-carboxylic acid (CAS 79807-93-5)
- Efinaconazole Impurity 5 (CAS 135270-11-0)
- 3-Aminopyrazolo[1,5-α]pyrimidine (CAS 232600-93-0)
- tert-Butyl (2S)-2-(bromomethyl)-4,4-difluoropyrrolidine-1-carboxylate (CAS 1279894-15-3)
- n-Methyl-n-neopentylglycine (CAS 1307681-48-6)
- Methyl 2-[4-(4-methylphenyl)phenyl]acetate (CAS 1437789-26-8)
- 5-((3,3-Diethoxypropyl)amino)thieno[3,2-b]pyridin-7-ol, sodium salt (CAS 1015224-01-7)
- Peptide WE-14 (CAS 115136-18-0)
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