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ScientificNameLabel
1-Propyl sec-butyl disulfide
PHCD compound ID : 792
Chemical Names :
1-Propyl sec-butyl disulfide
Molecular Formula : C7H16S2
Molecular Weight : 164.069343
More Details :
Names & Synonyms: 2-(propyldisulfanyl)butane
Smiles: CCCSS[C@H](CC)C
InChi : InChI=1S/C7H16S2/c1-4-6-8-9-7(3)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
InChi Key : InChIKey=KHTNPVYWCGRQEA-ZETCQYMHSA-N
PubChem ID : 521902
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.625489
Hydrogen bond donor count : 0 Electric dipole moment : 2.680
XLogP : 3.295 VDW volume : 166.646399
Molecular weight : 164.069343 HOMO-LUMO gap : 7.923000
Herb list :
Refrences & Litretures:
  
55.      Journal:'Food Chemistry'      Year:'2013'      Volume:'138'      Page:'2180'      DOI:'10.1016/j.foodchem.2012.11.131'      Title:'Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: Effect of collection time'
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'
57.      Journal:'Intl. Res. J. Appl. Basic. Sci'      Year:'2012'      Volume:'3'      Page:'919'      DOI:''      Title:'Bitter and Sweet Ferula assa-foetida L. Essential oil Composition from Iran and its Comparison with Ferula assa-foetida L. used in India'
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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