5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol CAS 4858-38-2

Purity 97%+In StockPharmaceutical Standards
CAS No.4858-38-2
Molecular FormulaC9H7ClN2S3
Molecular Weight274.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol CAS 4858-38-2 chemical structure

Description

The occurrence of 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (CAS 4858-38-2), a certified reference material (molecular formula C9H7ClN2S3, MW 274.81 g/mol) for analytical method development and quality control.

The molecular framework of 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (C9H7ClN2S3) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 FormulaC9H7ClN2S3
Molecular Weight274.81 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms3

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