5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 156867-74-2
• Molecular Formula: C13H16ClN3OS
• Molecular Weight: 297.8
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60397660
• Wikidata: Q82199177
• Mol file: 156867-74-2.mol

Synonyms:156867-74-2;5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol;3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione;ART-CHEM-BB B018125;5-((4-Chloro-3,5-dimethylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol;Oprea1_465588;DTXSID60397660;BBL016807;MFCD03943508;STK435173;AKOS003289933;NCGC00319761-01;VS-05586;AB01316836-02

Chemical Property of 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 8.25E-07mmHg at 25°C
• Boiling Point: 406.2°C at 760 mmHg
• Flash Point: 199.5°C
• PSA: 78.74000
• Density: 1.31g/cm³
• LogP: 3.43590
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 297.0702610
• Heavy Atom Count: 19
• Complexity: 365

Purity/Quality:

98%min ^*data from raw suppliers

5-[(4-Chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=NNC1=S)COC2=CC(=C(C(=C2)C)Cl)C