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

Purity 97%+In StockPharmaceutical Standards
CAS No.750601-57-1
Molecular FormulaC15H20N2OS2
Molecular Weight308.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

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 chemical structure

Description

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.

Physical & Chemical Properties

Molecular FormulaC15H20N2OS2
Molecular Weight308.46 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Nitrogen Atoms2
Sulfur Atoms2

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