3-((4-(Tert-butyl)benzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 691868-95-8
| CAS No. | 691868-95-8 |
| Molecular Formula | C28H30N2S |
| Molecular Weight | 426.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-((4-(Tert-butyl)benzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 691868-95-8) is a high-purity analytical reference standard with the molecular formula C28H30N2S and a molecular weight of 426.62 g/mol.
Structurally, 3-((4-(Tert-butyl)benzyl)thio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (C28H30N2S) 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 426.62 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C28H30N2S |
| Molecular Weight | 426.62 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 1985 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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