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ScientificNameLabel
Methyl sec-butyl disulfide
PHCD compound ID : 776
Chemical Names :
Methyl sec-butyl disulfide
Molecular Formula : C5H12S2
Molecular Weight : 136.038042
More Details :
Names & Synonyms: 2-(methyldisulfanyl)butane
Smiles: CSS[C@H](CC)C
InChi : InChI=1S/C5H12S2/c1-4-5(2)7-6-3/h5H,4H2,1-3H3/t5-/m0/s1
InChi Key : InChIKey=QTWVOHZEDPQFTP-YFKPBYRVSA-N
PubChem ID : 522263
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.645197
Hydrogen bond donor count : 0 Electric dipole moment : 2.557
XLogP : 2.579 VDW volume : 132.05443
Molecular weight : 136.038042 HOMO-LUMO gap : 7.939000
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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