2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine CAS 478261-61-9

Purity 97%+In StockPharmaceutical Standards
CAS No.478261-61-9
Molecular FormulaC21H19Cl2N3S2
Molecular Weight448.43 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine CAS 478261-61-9 chemical structure

Description

As a certified reference material (CRM), 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine 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.

2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine (CAS 478261-61-9), molecular formula C21H19Cl2N3S2 and molecular weight 448.43 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-{[(4-chlorophenyl)sulfanyl]methyl}-N-(prop-2-en-1-yl)pyrimidin-4-amine (C21H19Cl2N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 448.43 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.

Physical & Chemical Properties

Molecular FormulaC21H19Cl2N3S2
Molecular Weight448.43 g/mol
Purity97%+
StorageStore at room temperature, 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)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms2

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