3-Allyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one CAS 51486-16-9

Purity 97%+In StockPharmaceutical Standards
CAS No.51486-16-9
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Allyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one CAS 51486-16-9 chemical structure

Description

Structurally, 3-Allyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (C11H12N2OS2) 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 252.36 g/mol, it falls into the medium-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.

3-Allyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 51486-16-9), molecular formula C11H12N2OS2 and molecular weight 252.36 g/mol, is a CATO reference standard with documented purity and traceability.

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.

As a certified reference material (CRM), 3-Allyl-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one 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.

Physical & Chemical Properties

Molecular FormulaC11H12N2OS2
Molecular Weight252.36 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.)1971
Nitrogen Atoms2
Sulfur Atoms2

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