S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) octadecanethioate

Base Information

• Chemical Name: S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) octadecanethioate
• CAS No.: 133280-18-9
• Molecular Formula: C25H40N4OS
• Molecular Weight: 444.6763
• DSSTox Substance ID: DTXSID10158046
• Wikidata: Q83026201

Synonyms:S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) octadecanethioate;Octadecanethioic acid, S-(1-ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) ester;133280-18-9;C25H40N4OS;DTXSID10158046;C25-H40-N4-O-S;LS-97682

Chemical Property of S-(1-Ethenyl-1H-pyrazolo(3,4-b)pyrazin-5-yl) octadecanethioate

Chemical Property:

• Vapor Pressure: 6.74E-11mmHg at 25°C
• Boiling Point: 519.6°Cat760mmHg
• Flash Point: 268°C
• Density: 1.07g/cm³
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 19
• Exact Mass: 444.29228309
• Heavy Atom Count: 31
• Complexity: 490

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)SC1=CN=C2C(=N1)C=NN2C=C

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