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ScientificNameLabel
(Z)-1-propenyl propyl trisulphide
PHCD compound ID : 805
Chemical Names :
(Z)-1-propenyl propyl trisulphide
Molecular Formula : C6H12S3
Molecular Weight : 180.010113
More Details :
Names & Synonyms: 1-[[(Z)-prop-1-enyl]trisulfanyl]propane
Smiles: CCCSSS/C=C\C
InChi : InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-
InChi Key : InChIKey=CKVNYTRYOFXVGM-HYXAFXHYSA-N
PubChem ID : 5352694
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.669215
Hydrogen bond donor count : 0 Electric dipole moment : 2.894
XLogP : 3.208 VDW volume : 165.22298
Molecular weight : 180.010113 HOMO-LUMO gap : 7.305000
Herb list :
Refrences & Litretures:
  
56.      Journal:'Journal of Reports in Pharmaceutical Sciences'      Year:'2013'      Volume:'2'      Page:'90'      DOI:''      Title:'Essential Oil Composition of Ferula Assa-Foetida L. Fruits from Western Iran'
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