Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester

Base Information

• Chemical Name: Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester
• CAS No.: 832150-89-7
• Molecular Formula: C14H16BrN3O2S
• DSSTox Substance ID: DTXSID80429139
• Wikidata: Q82242073
• Mol file: 832150-89-7.mol

Synonyms:832150-89-7;Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester;DTXSID80429139

Chemical Property of Acetic acid, [[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-, butyl ester

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 369.01466
• Heavy Atom Count: 21
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br