5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid ethyl ester CAS 157984-52-6
| CAS No. | 157984-52-6 |
| Molecular Formula | C8H8F3NO2S2 |
| Molecular Weight | 271.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid ethyl ester.
5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid ethyl ester (CAS 157984-52-6) is a high-purity analytical reference standard with the molecular formula C8H8F3NO2S2 and a molecular weight of 271.28 g/mol.
Based on its molecular formula C8H8F3NO2S2, 5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid ethyl ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 271.28 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 5-Methylsulfanyl-3-trifluoromethyl-isothiazole-4-carboxylic acid ethyl ester 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 | C8H8F3NO2S2 |
| Molecular Weight | 271.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one (CAS 157338-47-1)
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- 4-(4-Methylpiperidin-1-yl)-2-(trifluoromethyl)benzaldehyde (CAS 1427011-04-8)
- O2-tert-Butyl O3-methyl (3S)-7-fluoro-2-azabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CAS 1957130-60-7)
- 3-Cyano-2-methylpropanoic acid (CAS 39621-27-7)
- 3-ethoxycyclobutane-1-carbaldehyde (CAS 1694465-65-0)
- tert-Butyl (R)-(1,1,1-trifluoro-3-hydroxypropan-2-yl)carbamate (CAS 1393524-03-2)
- 4-Hydroxy-3,5-diiodobenzenesufonic Acid Sodium Salt Hydrate, >95% (CAS 515-44-6)
- 5-Ethyl-1-((2S,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 1417190-75-0)
- 4-[2-(4-Iodo-1H-pyrazol-1-yl)ethyl]morpholine (CAS 879488-16-1)
- (16alpha)-21-(Acetyloxy)-17-hydroxy-16-methyl-pregna-1,4-diene-3,11,20-trione (CAS 1058-04-4)
- 1-Fluoro-5,7-dioxa-6-thiaspiro[2.5]Octane 6-oxide (CAS 1835276-52-2)
- 2-((2-Chlorobenzyl)(ethyl)amino)ethanol (CAS 104095-94-5)
- Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 90880-35-6)
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