| CAS No. | 478029-87-7 |
| Molecular Formula | C16H17N3S2 |
| Molecular Weight | 315.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
As a certified reference material (CRM), 2-(Allylthio)-N-isopropylbenzo[4,5]thieno[3,2-d]pyrimidin-4-amine 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.
2-(Allylthio)-N-isopropylbenzo[4,5]thieno[3,2-d]pyrimidin-4-amine (CAS 478029-87-7), molecular formula C16H17N3S2 and molecular weight 315.46 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Allylthio)-N-isopropylbenzo[4,5]thieno[3,2-d]pyrimidin-4-amine (C16H17N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 315.46 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.
| Molecular Formula | C16H17N3S2 |
| Molecular Weight | 315.46 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |