3-(Octylthio)-4h-1,2,4-triazole

Base Information

• Chemical Name: 3-(Octylthio)-4h-1,2,4-triazole
• CAS No.: 80755-99-3
• Molecular Formula: C10H19 N3 S
• Molecular Weight: 213.34
• DSSTox Substance ID: DTXSID601303437
• Mol file: 80755-99-3.mol

Synonyms:3-(octylthio)-4h-1,2,4-triazole;80755-99-3;1H-1,2,4-Triazole,5-(octylthio)-;5-octylsulfanyl-1H-1,2,4-triazole;SCHEMBL9175656;DTXSID601303437;5-(Octylthio)-1H-1,2,4-triazole;AKOS024273960;CCG-251357;FT-0616288;3-(OCTYLSULFANYL)-4H-1,2,4-TRIAZOLE

Chemical Property of 3-(Octylthio)-4h-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 2.27E-05mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 360.1°C at 760 mmHg
• Flash Point: 171.6°C
• PSA: 66.87000
• Density: 1.06g/cm³
• LogP: 3.25730
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 213.12996879
• Heavy Atom Count: 14
• Complexity: 133

Purity/Quality:

97% ^*data from raw suppliers

3-OCTYLTHIO-4H-1,2,4-TRIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC1=NC=NN1