| CAS No. | 89323-44-4 |
| Molecular Formula | C5H6O3S |
| Molecular Weight | 146.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
4-Oxotetrahydrothiophene-2-carboxylic acid (CAS 89323-44-4), molecular formula C5H6O3S and molecular weight 146.16 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Oxotetrahydrothiophene-2-carboxylic acid (C5H6O3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 146.16 g/mol, it falls into the low-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C5H6O3S |
| Molecular Weight | 146.16 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1982 |
| Sulfur Atoms | 1 |