4-((4-(Tert-butyl)benzyl)thio)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepine CAS 477855-79-1

Purity 97%+In StockPharmaceutical Standards
CAS No.477855-79-1
Molecular FormulaC20H22ClNS2
Molecular Weight375.98 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-((4-(Tert-butyl)benzyl)thio)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepine CAS 477855-79-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 375.98 g/mol gives 4-((4-(Tert-butyl)benzyl)thio)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-((4-(Tert-butyl)benzyl)thio)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepine (CAS 477855-79-1), molecular formula C20H22ClNS2 and molecular weight 375.98 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 4-((4-(Tert-butyl)benzyl)thio)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepine (C20H22ClNS2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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. 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), 4-((4-(Tert-butyl)benzyl)thio)-7-chloro-2,3-dihydrobenzo[b][1,4]thiazepine 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 FormulaC20H22ClNS2
Molecular Weight375.98 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
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.)2025
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms2

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