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ScientificNameLabel
Bis(1-methyl propenyl) disulfide
PHCD compound ID : 812
Chemical Names :
Bis(1-methyl propenyl) disulfide
Molecular Formula : C8H14S2
Molecular Weight : 174.053692
More Details :
Names & Synonyms: (E)-2-[[(E)-1-methylprop-1-enyl]disulfanyl]but-2-ene , (E)-2-[[(E)-but-2-en-2-yl]disulfanyl]-2-butene , (E)-2-[[(E)-but-2-en-2-yl]disulfanyl]but-2-ene
Smiles: C/C=C(/SS/C(=C/C)/C)\C
InChi : InChI=1S/C8H14S2/c1-5-7(3)9-10-8(4)6-2/h5-6H,1-4H3/b7-5+,8-6+
InChi Key : InChIKey=SEUXDSIHTAQGIQ-KQQUZDAGSA-N
PubChem ID : 91749927
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.502967
Hydrogen bond donor count : 0 Electric dipole moment : 3.675
XLogP : 2.61 VDW volume : 178.669466
Molecular weight : 174.053692 HOMO-LUMO gap : 7.683000
Herb list :
Refrences & Litretures:
  
58.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'639'      DOI:'10.1016/j.foodchem.2004.06.033'      Title:'Comparison of essential oils compositions of Ferula assa-foetida obtained by supercritical carbon dioxide extraction and hydrodistillation methods'
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