2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate CAS 339016-51-2
| CAS No. | 339016-51-2 |
| Molecular Formula | C18H12ClF3N2O2S2 |
| Molecular Weight | 444.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate (CAS 339016-51-2), a certified reference material (molecular formula C18H12ClF3N2O2S2, MW 444.88 g/mol) for analytical method development and quality control.
2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate (C18H12ClF3N2O2S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), 2-{[2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H12ClF3N2O2S2 |
| Molecular Weight | 444.88 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related chloro Standards
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Recommended Standards
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- Lemborexant Impurity 27 (CAS CATO-C4X-304227)
- 3-{1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl}-4-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775524-46-3)
- 2-Amino-N-[(furan-2-yl)methyl]acetamide hydrochloride (CAS 1181458-84-3)
- (R)-1-(Cyclobutylmethyl)pyrrolidin-3-amine dihydrochloride (CAS 1349699-76-8)
- 2-Methoxyethyl 2-(1-butyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 618078-02-7)
- N-(4-fluorophenyl)-2-(trifluoromethyl)pyridin-4-amine (CAS 338393-31-0)
- 2,3-Dimethyl-4-(phenylmethoxy)benzaldehyde (CAS 1609289-76-0)
- 1-(4-Chlorophenyl)-1H-1,2,3-triazole (CAS 20320-16-5)
- Spiro[3.5]nonan-6-amine (CAS 1255099-64-9)
- 2-((5-Acetyl-2-methoxybenzyl)sulfonyl)acetic acid (CAS 796067-51-1)
- Methyl 1-(pyridin-2-yl)cyclopropanecarboxylate (CAS 162960-27-2)
- Semaglutide impurity 237 (CAS CATO-C4X-2226237)
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