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6-Ethyl-4,5,7-trithiadecane
PHCD compound ID : 5071
Chemical Names :
6-Ethyl-4,5,7-trithiadecane
Molecular Formula : C9H20S3
Molecular Weight : 224.072714
More Details :
Names & Synonyms: 1-(propyldisulfanyl)-1-propylsulfanyl-propane , 1-(propyldisulfanyl)-1-(propylthio)propane , 1-(propyldisulfanyl)-1-propylsulfanylpropane
Smiles: CCCSS[C@H](SCCC)CC
InChi : InChI=1S/C9H20S3/c1-4-7-10-9(6-3)12-11-8-5-2/h9H,4-8H2,1-3H3/t9-/m0/s1
InChi Key : InChIKey=NPIXBDUKSDQMKL-VIFPVBQESA-N
PubChem ID : 528859
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.550503
Hydrogen bond donor count : 0 Electric dipole moment : 3.826
XLogP : 4.266 VDW volume : 219.747393
Molecular weight : 224.072714 HOMO-LUMO gap : 7.663000
Herb list :
Refrences & Litretures:
  
788.      Journal:'Australian Journal of Basic and Applied Sciences'      Year:'2009'      Volume:'3'      Page:'201'      DOI:''      Title:'Essential Oil, Growth and Yield of Onion (Allium Cepa L.) In Response to Foliar Application of Some Micronutrients'
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