4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one CAS 734544-87-7

Purity 97%+In StockPharmaceutical Standards
CAS No.734544-87-7
Molecular FormulaC15H26N2OS2
Molecular Weight314.51 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one CAS 734544-87-7 chemical structure

Description

As a certified reference material (CRM), 4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-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.

4-(3-methylbutyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (CAS 734544-87-7), molecular formula C15H26N2OS2 and molecular weight 314.51 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C15H26N2OS2, 4-(3-methylbutyl)-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; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 314.51 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC15H26N2OS2
Molecular Weight314.51 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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1986
Nitrogen Atoms2
Sulfur Atoms2

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