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ScientificNameLabel
Diallyl sulfide
PHCD compound ID : 2587
Chemical Names :
1-Propene,3,3-thiobis , Diallyl sulfide , 1-Propene,3,3’-thiobis- , Diallyl sulphide
Molecular Formula : C6H10S1
Molecular Weight : 114.050321
More Details :
Names & Synonyms: 3-allylsulfanylprop-1-ene , 3-(prop-2-enylthio)-1-propene , 3-prop-2-enylsulfanylprop-1-ene , 3-(allylthio)prop-1-ene
Smiles: C=CCSCC=C
InChi : InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChi Key : InChIKey=UBJVUCKUDDKUJF-UHFFFAOYSA-N
PubChem ID : 11617
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.546299
Hydrogen bond donor count : 0 Electric dipole moment : 1.823
XLogP : 2.011 VDW volume : 125.568473
Molecular weight : 114.050321 HOMO-LUMO gap : 8.582000
Herb list :
Refrences & Litretures:
  
301.      Journal:'Journal of Chromatography A'      Year:'930'      Volume:'2001'      Page:'1'      DOI:''      Title:'Comparison of simultaneous distillation extraction and solid-phase microextraction for the determination of volatile ?avor components'
466.      Journal:'Journal of Essential Oil Research'      Year:'2014'      Volume:'26'      Page:'91'      DOI:'10.1080/10412905.2013.868329'      Title:'Composition of garlic essential oil (Allium sativum L.) as influenced by drying method'
468.      Journal:'IOSR-JESTFT'      Year:'2013'      Volume:'3'      Page:'30'      DOI:''      Title:'Chemical composition and biological activity of Allium sativum essential oils against Callosobruchus maculatus'
470.      Journal:'J Food Sci'      Year:'2012'      Volume:'77'      Page:'M278'      DOI:'10.1111/j.1750-3841.2012.02662.x'      Title:'Effects of Onion (Allium cepa L.) and Garlic (Allium sativum L.) Essential Oils on the Aspergillus versicolor Growth and Sterigmatocystin Production'
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