5-((4-Chlorophenyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenylthiazole CAS 956624-80-9
| CAS No. | 956624-80-9 |
| Molecular Formula | C20H16ClN3S2 |
| Molecular Weight | 397.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-((4-Chlorophenyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenylthiazole (CAS 956624-80-9) is a high-purity analytical reference standard with the molecular formula C20H16ClN3S2 and a molecular weight of 397.94 g/mol.
Structurally, 5-((4-Chlorophenyl)thio)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-phenylthiazole (C20H16ClN3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 397.94 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.
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 | C20H16ClN3S2 |
| Molecular Weight | 397.94 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 2-(3-Iodo-5-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1073339-02-2)
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- 2-Bromo-1-(bromomethyl)-6-methoxy-5-(trifluoromethyl)naphthalene (CAS 122670-66-0)
- N1-(6-chloro-2-methoxyacridin-9-yl)-N4-(cyclopropylmethyl)-N4-methylbutane-1,4-diamine (CAS 1411646-09-7)
- (S)-2-((tert-butoxycarbonyl)amino)-3-(4-((2,6-dichlorobenzyl)oxy)-3,5-diiodophenyl)propanoic acid (CAS 201416-66-2)
- bpV(phen) (Potassium Hydrate) (CAS 171202-16-7)
- Methyl (3-bromo-5-fluorobenzoyl)glycinate (CAS 1156837-73-8)
- 4-[4-(2-hydroxyethyl)-3-(methoxycarbonyl)-5-oxo-2,5-dihydro-1h-pyrazol-1-yl]benzoic acid (CAS 1221725-91-2)
- (3,4-Dimethoxyphenyl)(pyridin-3-yl)methanone (CAS 63724-50-5)
- 3-Amino-5-bromo-4-methylpyridin-2(1H)-one (CAS 889943-27-5)
- 1-Cyclohexylprop-2-yn-1-ol (CAS 4187-88-6)
- (4-Chlorophenylthio)acetonitrile (CAS 18527-19-0)
- 1-(2-Fluorobenzo[d]oxazol-4-yl)ethanone (CAS 1804471-44-0)
- Semaglutide Impurity 142 (CAS CATO-C4X-2226142)
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