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ScientificNameLabel
bis(1-methyl thio)propyl disulfide
PHCD compound ID : 784
Chemical Names :
bis[(1-methylthio) propyl]disulfide , Bis(1-methyl thio) propyl disulfide , bis(1-methyl thio)propyl disulfide
Molecular Formula : C8H18S4
Molecular Weight : 242.029135
More Details :
Names & Synonyms: 1-methylsulfanyl-1-(1-methylsulfanylpropyldisulfanyl)propane , 1-(methylthio)-1-[1-(methylthio)propyldisulfanyl]propane
Smiles: CC[C@H](SS[C@H](SC)CC)SC
InChi : InChI=1S/C8H18S4/c1-5-7(9-3)11-12-8(6-2)10-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
InChi Key : InChIKey=LHVBQVQKDUZOIJ-YUMQZZPRSA-N
PubChem ID : 12463487
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.424114
Hydrogen bond donor count : 0 Electric dipole moment : 2.176
XLogP : 4.102 VDW volume : 220.960432
Molecular weight : 242.029135 HOMO-LUMO gap : 7.529000
Herb list :
Refrences & Litretures:
  
54.      Journal:'Research Journal of Pharmacognosy'      Year:'2014'      Volume:'1'      Page:'51'      DOI:''      Title:'Assessment of chemical composition of essential oil of Ferula assa-foetida oleogum-resin from two different sites of Yazd province in center of Iran'
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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