[4-(Trifluoromethyl)phenyl]methyl N-{5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazol-4-yl}carbamate CAS 400074-51-3

Purity 97%+In StockPharmaceutical Standards
CAS No.400074-51-3
Molecular FormulaC17H11ClF3N3O2S2
Molecular Weight445.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

[4-(Trifluoromethyl)phenyl]methyl N-{5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazol-4-yl}carbamate CAS 400074-51-3 chemical structure

Description

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

[4-(Trifluoromethyl)phenyl]methyl N-{5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazol-4-yl}carbamate (CAS 400074-51-3), molecular formula C17H11ClF3N3O2S2 and molecular weight 445.87 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, [4-(Trifluoromethyl)phenyl]methyl N-{5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazol-4-yl}carbamate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 445.87 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC17H11ClF3N3O2S2
Molecular Weight445.87 g/mol
Purity97%+
StorageStore in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms3
Sulfur Atoms2

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