4-(4-bromophenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one CAS 136386-74-8

Purity 97%+In StockPharmaceutical Standards
CAS No.136386-74-8
Molecular FormulaC16H25BrN2OS2
Molecular Weight405.42 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-bromophenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one CAS 136386-74-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 405.42 g/mol gives 4-(4-bromophenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(4-bromophenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (CAS 136386-74-8), molecular formula C16H25BrN2OS2 and molecular weight 405.42 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C16H25BrN2OS2, 4-(4-bromophenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 405.42 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

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 FormulaC16H25BrN2OS2
Molecular Weight405.42 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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentBr-containing
Nitrogen Atoms2
Sulfur Atoms2

Related bromophenyl Standards

Recommended Standards

Why CATO?