Ethyl 2-chloro-2-(methylthio)acetate CAS 56078-31-0
| CAS No. | 56078-31-0 |
| Molecular Formula | C5H9ClO2S |
| Molecular Weight | 168.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 168.64 g/mol gives Ethyl 2-chloro-2-(methylthio)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 2-chloro-2-(methylthio)acetate (CAS 56078-31-0), molecular formula C5H9ClO2S and molecular weight 168.64 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 2-chloro-2-(methylthio)acetate (C5H9ClO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 168.64 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C5H9ClO2S |
| Molecular Weight | 168.64 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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