3-Methyl-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione CAS 102989-83-3

Purity 97%+In StockPharmaceutical Standards
CAS No.102989-83-3
Molecular FormulaC13H9F3N4S
Molecular Weight310.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Methyl-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione CAS 102989-83-3 chemical structure

Description

3-Methyl-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione (CAS 102989-83-3), molecular formula C13H9F3N4S and molecular weight 310.30 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-Methyl-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione (C13H9F3N4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 310.30 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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-Methyl-1-phenyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine-4(5H)-thione 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 FormulaC13H9F3N4S
Molecular Weight310.30 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Halogen ContentF-containing
Nitrogen Atoms4
Sulfur Atoms1

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