3-butyl-2-[(1E)-3-[(2Z)-3-butyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium Iodide CAS 17636-07-6

Purity 97%+In StockPharmaceutical Standards
CAS No.17636-07-6
Molecular FormulaC26H31N2S2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-butyl-2-[(1E)-3-[(2Z)-3-butyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium Iodide CAS 17636-07-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-butyl-2-[(1E)-3-[(2Z)-3-butyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium Iodide.

3-butyl-2-[(1E)-3-[(2Z)-3-butyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium Iodide (CAS 17636-07-6), molecular formula C26H31N2S2I and molecular weight 562.57 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 3-butyl-2-[(1E)-3-[(2Z)-3-butyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium Iodide (C26H31N2S2I) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

CATO manufactures 3-butyl-2-[(1E)-3-[(2Z)-3-butyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium Iodide under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC26H31N2S2 I
Molecular Weight562.57 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1962
Halogen ContentI-containing
Nitrogen Atoms2
Sulfur Atoms2

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