5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 792941-64-1
• Molecular Formula: C13H15Cl2N3OS
• Molecular Weight: 332.2
• DSSTox Substance ID: DTXSID501324341
• ChEMBL ID: CHEMBL1337410
• Mol file: 792941-64-1.mol

Synonyms:5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazole-3-thiol;792941-64-1;3-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-1H-1,2,4-triazole-5-thione;5-(3-(2,4-Dichlorophenoxy)propyl)-4-ethyl-4H-1,2,4-triazole-3-thiol;MLS000718636;CHEMBL1337410;DTXSID501324341;HMS2734D09;BBL008702;MFCD06665873;STK197708;AKOS000283492;NCGC00329794-01;SMR000290904;VS-01972;CS-0319415;AB00580076-07

Chemical Property of 5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• PKA: 8.99±0.20(Predicted)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 331.0312887
• Heavy Atom Count: 20
• Complexity: 381

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=NNC1=S)CCCOC2=C(C=C(C=C2)Cl)Cl