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ScientificNameLabel
Methyl 1-(methylthio) ethyl disulfide
PHCD compound ID : 782
Chemical Names :
Methyl 1-(methylthio) ethyl disulfide
Molecular Formula : C4H10S3
Molecular Weight : 153.994463
More Details :
Names & Synonyms: 1-(methyldisulfanyl)-1-methylsulfanyl-ethane , 1-(methyldisulfanyl)-1-(methylthio)ethane , 1-(methyldisulfanyl)-1-methylsulfanylethane
Smiles: CSS[C@H](SC)C
InChi : InChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3/t4-/m0/s1
InChi Key : InChIKey=BILDZELNIVRXQA-BYPYZUCNSA-N
PubChem ID : 528855
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.535262
Hydrogen bond donor count : 0 Electric dipole moment : 3.369
XLogP : 2.476 VDW volume : 133.267469
Molecular weight : 153.994463 HOMO-LUMO gap : 7.682000
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'
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