2-(Cyclohepta-1,3,6-trien-1-yl)-1,3-dithiane

Base Information

• Chemical Name: 2-(Cyclohepta-1,3,6-trien-1-yl)-1,3-dithiane
• CAS No.: 60380-39-4
• Molecular Formula: C11H14S2
• DSSTox Substance ID: DTXSID50515114

Synonyms:60380-39-4;2-(Cyclohepta-1,3,6-trien-1-yl)-1,3-dithiane;DTXSID50515114

Chemical Property of 2-(Cyclohepta-1,3,6-trien-1-yl)-1,3-dithiane

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 245

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)C2=CC=CCC=C2

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