5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid 2-allyl ester 4-ethyl ester CAS 685854-20-0
| CAS No. | 685854-20-0 |
| Molecular Formula | C12H15NO4S |
| Molecular Weight | 269.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid 2-allyl ester 4-ethyl ester (CAS 685854-20-0) is a high-purity analytical reference standard with the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol.
Structurally, 5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid 2-allyl ester 4-ethyl ester (C12H15NO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 269.32 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C12H15NO4S |
| Molecular Weight | 269.32 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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