4-(3-Chlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one CAS 478247-18-6

Purity 97%+In StockPharmaceutical Standards
CAS No.478247-18-6
Molecular FormulaC14H12ClNOS2
Molecular Weight309.83 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(3-Chlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one CAS 478247-18-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 309.83 g/mol gives 4-(3-Chlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(3-Chlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 478247-18-6) is a high-purity analytical reference standard with the molecular formula C14H12ClNOS2 and a molecular weight of 309.83 g/mol.

The molecular framework of 4-(3-Chlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (C14H12ClNOS2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC14H12ClNOS2
Molecular Weight309.83 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms2

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