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ScientificNameLabel
Ethyldithioethane
PHCD compound ID : 2363
Chemical Names :
Ethyldithioethane , Diethyl disulfide
Molecular Formula : C4H10S2
Molecular Weight : 122.022392
More Details :
Names & Synonyms: (ethyldisulfanyl)ethane
Smiles: CCSSCC
InChi : InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
InChi Key : InChIKey=CETBSQOFQKLHHZ-UHFFFAOYSA-N
PubChem ID : 8077
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.700171
Hydrogen bond donor count : 0 Electric dipole moment : 2.497
XLogP : 2.282 VDW volume : 114.758445
Molecular weight : 122.022392 HOMO-LUMO gap : 7.958000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
498.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2010'      Volume:'13'      Page:'313'      DOI:'10.1080/0972060X.2010.10643826'      Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
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