| CAS No. | 477857-89-9 |
| Molecular Formula | C13H11ClO2S2 |
| Molecular Weight | 298.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 298.81 g/mol gives Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate (CAS 477857-89-9), molecular formula C13H11ClO2S2 and molecular weight 298.81 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 298.81 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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.
| Molecular Formula | C13H11ClO2S2 |
| Molecular Weight | 298.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 2 |