5-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole CAS 478031-74-2

Purity 97%+In StockPharmaceutical Standards
CAS No.478031-74-2
Molecular FormulaC14H9Cl2F3N2S2
Molecular Weight397.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole CAS 478031-74-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 397.27 g/mol gives 5-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole (CAS 478031-74-2), molecular formula C14H9Cl2F3N2S2 and molecular weight 397.27 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, fluorine/chlorine substitution, 5-{[(2,6-dichlorophenyl)sulfanyl]methyl}-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 397.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC14H9Cl2F3N2S2
Molecular Weight397.27 g/mol
Purity97%+
StorageStore at 2-8°C, 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms2

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