5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol CAS 338982-45-9

Purity 97%+In StockPharmaceutical Standards
CAS No.338982-45-9
Molecular FormulaC13H16ClN3S2
Molecular Weight313.87 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol CAS 338982-45-9 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.

CATO supplies 5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 338982-45-9), a certified reference material (molecular formula C13H16ClN3S2, MW 313.87 g/mol) for analytical method development and quality control.

Structurally, 5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol (C13H16ClN3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 313.87 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

As a certified reference material (CRM), 5-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-(propan-2-yl)-4H-1,2,4-triazole-3-thiol 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 FormulaC13H16ClN3S2
Molecular Weight313.87 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms2

Related chlorophenyl Standards

Recommended Standards

Why CATO?