2-[(4-Isothiocyanatophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline CAS 956576-70-8

Purity 97%+In StockPharmaceutical Standards
CAS No.956576-70-8
Molecular FormulaC16H14N2O2S2
Molecular Weight330.42 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[(4-Isothiocyanatophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline CAS 956576-70-8 chemical structure

Description

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.

2-[(4-Isothiocyanatophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (CAS 956576-70-8) is a high-purity analytical reference standard with the molecular formula C16H14N2O2S2 and a molecular weight of 330.42 g/mol.

The molecular framework of 2-[(4-Isothiocyanatophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline (C16H14N2O2S2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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).

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 FormulaC16H14N2O2S2
Molecular Weight330.42 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2
Sulfur Atoms2

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