3,6,9,12-Tetrathia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione

Base Information

• Chemical Name: 3,6,9,12-Tetrathia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
• CAS No.: 65745-82-6
• Molecular Formula: C13H15NO2S4
• DSSTox Substance ID: DTXSID60493858
• Wikidata: Q82340836

Synonyms:3,6,9,12-Tetrathia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione;65745-82-6;DTXSID60493858

Chemical Property of 3,6,9,12-Tetrathia-18-azabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 344.99856342
• Heavy Atom Count: 20
• Complexity: 310

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CSCCSC(=O)C2=CC=CC(=N2)C(=O)SCCS1

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