| CAS No. | 439096-50-1 |
| Molecular Formula | C25H24N2S |
| Molecular Weight | 384.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 384.54 g/mol gives 3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (CAS 439096-50-1), molecular formula C25H24N2S and molecular weight 384.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-[(3-Methylbenzyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile (C25H24N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 384.54 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C25H24N2S |
| Molecular Weight | 384.54 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |