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Acetic acid,mercapto,1,2-ethanediyl ester
PHCD compound ID : 5103
Chemical Names :
Acetic acid,mercapto,1,2-ethanediyl ester
Molecular Formula : C6H10O4S2
Molecular Weight : 210.002051
More Details :
Names & Synonyms: 2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate , 2-mercaptoacetic acid 2-(2-mercapto-1-oxoethoxy)ethyl ester , 2-(2-sulfanylethanoyloxy)ethyl 2-sulfanylethanoate , 2-mercaptoacetic acid 2-(2-mercaptoacetyl)oxyethyl ester
Smiles: SCC(=O)OCCOC(=O)CS
InChi : InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2
InChi Key : InChIKey=PSYGHMBJXWRQFD-UHFFFAOYSA-N
PubChem ID : 61059
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.226330
Hydrogen bond donor count : 0 Electric dipole moment : 0.861
XLogP : 0.56 VDW volume : 179.238404
Molecular weight : 210.002051 HOMO-LUMO gap : 8.506000
Herb list :
Refrences & Litretures:
  
806.      Journal:'Immunopharmacology and Immunotoxicology'      Year:'2012'      Volume:'34'      Page:'205'      DOI:'10.3109/08923973.2011.592534'      Title:'Chemical composition, antioxidant activity and larvicidal efects of essential oil from leaves of Apium graveolens'
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