6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dithione

Base Information

• Chemical Name: 6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dithione
• CAS No.: 89863-10-5
• Molecular Formula: C18H34N4O5S2
• Molecular Weight: 450.61600
• DSSTox Substance ID: DTXSID20418643
• Nikkaji Number: J213.692I

Synonyms:6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dithione;89863-10-5;DTXSID20418643;FELMAMQESKTIJE-UHFFFAOYSA-N

Chemical Property of 6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dithione

Chemical Property:

• PSA: 154.95000
• LogP: -0.98080
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 450.19706254
• Heavy Atom Count: 29
• Complexity: 416

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1COCCNC(=S)N2CCOCCOCCN(CCOCCOCC2)C(=S)N1

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