5-Chloro-2-({3-[3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3h)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide CAS 108626-72-8

Purity 97%+In StockPharmaceutical Standards
CAS No.108626-72-8
Molecular FormulaC39H43Cl2N2S2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Chloro-2-({3-[3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3h)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide CAS 108626-72-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 801.71 g/mol gives 5-Chloro-2-({3-[3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3h)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 5-Chloro-2-({3-[3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3h)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide (CAS 108626-72-8), a certified reference material (molecular formula C39H43Cl2N2S2I, MW 801.71 g/mol) for analytical method development and quality control.

Based on its molecular formula C39H43Cl2N2S2I, 5-Chloro-2-({3-[3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3h)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 801.71 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

As a certified reference material (CRM), 5-Chloro-2-({3-[3-(3-{[5-chloro-3-ethyl-1,3-benzothiazol-2(3h)-ylidene]methyl}-5,5-dimethyl-2-cyclohexen-1-ylidene)-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol -3-ium iodide 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 FormulaC39H43Cl2N2S2 I
Molecular Weight801.71 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)18.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl/I-containing
Nitrogen Atoms2
Sulfur Atoms2

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