2-(1E,3E)-1,3-Nonadien-1-yl-1,3-dithiane

Base Information

• Chemical Name: 2-(1E,3E)-1,3-Nonadien-1-yl-1,3-dithiane
• CAS No.: 401901-42-6
• Molecular Formula: C13H22S2
• Molecular Weight: 242.45
• DSSTox Substance ID: DTXSID301273924
• Nikkaji Number: J1.255.527J

Synonyms:SCHEMBL13764841;DTXSID301273924;401901-42-6;2-(1E,3E)-1,3-Nonadien-1-yl-1,3-dithiane

Chemical Property of 2-(1E,3E)-1,3-Nonadien-1-yl-1,3-dithiane

Chemical Property:

• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 242.11629305
• Heavy Atom Count: 15
• Complexity: 191

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC=CC=CC1SCCCS1
• Isomeric SMILES: CCCCC/C=C/C=C/C1SCCCS1

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