5-((2-Chloro-5-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol CAS 588692-13-1

Purity 97%+In StockPharmaceutical Standards
CAS No.588692-13-1
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-((2-Chloro-5-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol CAS 588692-13-1 chemical structure

Description

The occurrence of 5-((2-Chloro-5-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-((2-Chloro-5-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 588692-13-1) is a high-purity analytical reference standard with the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol.

Structurally, 5-((2-Chloro-5-methylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (C12H14ClN3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 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 283.78 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

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 FormulaC12H14ClN3OS
Molecular Weight283.78 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.)1984
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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