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ScientificNameLabel
Sulfide,methyl1-methyl-2-butenyl
PHCD compound ID : 3389
Chemical Names :
Sulfide,methyl1-methyl-2-butenyl
Molecular Formula : C6H12S1
Molecular Weight : 116.065971
More Details :
Names & Synonyms: (E)-4-methylsulfanylpent-2-ene , (E)-4-(methylthio)-2-pentene , (E)-4-(methylthio)pent-2-ene
Smiles: C/C=C/[C@H](SC)C
InChi : InChI=1S/C6H12S/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+/t6-/m1/s1
InChi Key : InChIKey=JQGXRGOLGYEZNV-BMMSZFGTSA-N
PubChem ID : 5362821
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.376185
Hydrogen bond donor count : 0 Electric dipole moment : 1.753
XLogP : 2.478 VDW volume : 128.204932
Molecular weight : 116.065971 HOMO-LUMO gap : 8.731000
Herb list :
Refrences & Litretures:
  
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'
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