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Compound: 5546
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References: 992
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Diallyl tetrasulfide
ScientificNameLabel
Diallyl tetrasulfide
PHCD compound ID :
3385
Chemical Names :
Diallyl tetrasulfide
Molecular Formula :
C6H10S4
Molecular Weight :
209.966534
More Details :
Names & Synonyms:
3-(allyltetrasulfanyl)prop-1-ene , 3-(prop-2-enyltetrasulfanyl)-1-propene , 3-(prop-2-enyltetrasulfanyl)prop-1-ene
Smiles:
C=CCSSSSCC=C
InChi :
InChI=1S/C6H10S4/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-6H2
InChi Key :
InChIKey=RMKCQUWJDRTEHE-UHFFFAOYSA-N
PubChem ID :
75552
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
8.608733
Hydrogen bond donor count :
0
Electric dipole moment :
2.959
XLogP :
2.776
VDW volume :
181.095545
Molecular weight :
209.966534
HOMO-LUMO gap :
6.904000
Herb list :
Garlic - Allium sativum - سیر
Refrences & Litretures:
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'
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