| CAS No. | 750601-57-1 |
| Molecular Formula | C15H20N2OS2 |
| Molecular Weight | 308.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Structurally, 3-(Sec-butyl)-2-mercapto-3,5,6,7,8,9-hexahydro-4h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (C15H20N2OS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 308.46 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.
3-(Sec-butyl)-2-mercapto-3,5,6,7,8,9-hexahydro-4h-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 750601-57-1), molecular formula C15H20N2OS2 and molecular weight 308.46 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H20N2OS2 |
| Molecular Weight | 308.46 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |