2-(3-{[(2-chlorophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole CAS 400087-88-9

Purity 97%+In StockPharmaceutical Standards
CAS No.400087-88-9
Molecular FormulaC20H14ClNS2
Molecular Weight367.91 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3-{[(2-chlorophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole CAS 400087-88-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 367.91 g/mol gives 2-(3-{[(2-chlorophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-(3-{[(2-chlorophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole (CAS 400087-88-9), molecular formula C20H14ClNS2 and molecular weight 367.91 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution, 2-(3-{[(2-chlorophenyl)sulfanyl]methyl}phenyl)-1,3-benzothiazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 367.91 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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

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 FormulaC20H14ClNS2
Molecular Weight367.91 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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms1
Sulfur Atoms2

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