Methyl 2-(5-dodecyl-2-thienyl)-1,3-dithiolane-2-octanoate

Base Information

• Chemical Name: Methyl 2-(5-dodecyl-2-thienyl)-1,3-dithiolane-2-octanoate
• CAS No.: 111843-84-6
• Molecular Formula: C₂₈H₄₈O₂S₃
• Molecular Weight: 512.886
• DSSTox Substance ID: DTXSID201196404

Synonyms:DTXSID201196404;Methyl 2-(5-dodecyl-2-thienyl)-1,3-dithiolane-2-octanoate;111843-84-6

Chemical Property of Methyl 2-(5-dodecyl-2-thienyl)-1,3-dithiolane-2-octanoate

Chemical Property:

• XLogP3: 11
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 21
• Exact Mass: 512.28164429
• Heavy Atom Count: 33
• Complexity: 494

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Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(S1)C2(SCCS2)CCCCCCCC(=O)OC

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