| CAS No. | 852933-47-2 |
| Molecular Formula | C16H14N2O3S2 |
| Molecular Weight | 346.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
CATO supplies 2-[({4-oxo-5-phenyl-3h,4h-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid (CAS 852933-47-2), a certified reference material (molecular formula C16H14N2O3S2, MW 346.42 g/mol) for analytical method development and quality control.
Structurally, 2-[({4-oxo-5-phenyl-3h,4h-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid (C16H14N2O3S2) 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 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 346.42 g/mol, it falls into the moderately-high-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.
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), 2-[({4-oxo-5-phenyl-3h,4h-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid 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.
| Molecular Formula | C16H14N2O3S2 |
| Molecular Weight | 346.42 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |