2-(Cyclohepta-2,4,6-trien-1-yl)-1,3-dithiane

Base Information

• Chemical Name: 2-(Cyclohepta-2,4,6-trien-1-yl)-1,3-dithiane
• CAS No.: 60380-38-3
• Molecular Formula: C11H14S2
• Molecular Weight: 210.35900
• DSSTox Substance ID: DTXSID90515113

Synonyms:60380-38-3;2-(Cyclohepta-2,4,6-trien-1-yl)-1,3-dithiane;DTXSID90515113

Chemical Property of 2-(Cyclohepta-2,4,6-trien-1-yl)-1,3-dithiane

Chemical Property:

• Melting Point: 52 °C
• Boiling Point: 343.3±42.0 °C(Predicted)
• PSA: 50.60000
• Density: 1.148±0.06 g/cm3(Predicted)
• LogP: 3.48100
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 210.05369279
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(SC1)C2C=CC=CC=C2

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