9-Butyl-6-octylsulfanylpurine

Base Information

• Chemical Name: 9-Butyl-6-octylsulfanylpurine
• CAS No.: 15923-50-9
• Molecular Formula: C17H28 N4 S
• Molecular Weight: 320.5
• NSC Number: 83694
• DSSTox Substance ID: DTXSID80292567
• Wikidata: Q82030924
• Mol file: 15923-50-9.mol

Synonyms:9-butyl-6-octylsulfanylpurine;15923-50-9;9-Butyl-6-(octylthio)-9H-purine;9-BUTYL-6-OCTYLSULFANYL-PURINE;NSC83694;DTXSID80292567;NSC-83694

Chemical Property of 9-Butyl-6-octylsulfanylpurine

Chemical Property:

• Vapor Pressure: 6.62E-09mmHg at 25°C
• Boiling Point: 467.2°C at 760 mmHg
• PKA: 1.98±0.10(Predicted)
• Flash Point: 236.4°C
• PSA: 68.90000
• Density: 1.11g/cm³
• LogP: 5.07900
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 320.20346808
• Heavy Atom Count: 22
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCSC1=NC=NC2=C1N=CN2CCCC