2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Base Information

• Chemical Name: 2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
• CAS No.: 5726-09-0
• Molecular Formula: C21H17ClN4OS
• Molecular Weight: 408.9039
• DSSTox Substance ID: DTXSID90409624
• Wikidata: Q82215518
• Mol file: 5726-09-0.mol

Synonyms:2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone;5726-09-0;DTXSID90409624;AKOS000824487;Z15645636

Chemical Property of 2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Chemical Property:

• Vapor Pressure: 3.36E-17mmHg at 25°C
• Boiling Point: 658.2°Cat760mmHg
• Flash Point: 351.9°C
• Density: 1.35g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 408.0811600
• Heavy Atom Count: 28
• Complexity: 531

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=C(C=C4)Cl