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ScientificNameLabel
Isobutyl isothiocyante
PHCD compound ID : 2598
Chemical Names :
Isobutyl isothiocyanate , 2-Methypropyl isothiocyanate , Isobutyl isothiocyante
Molecular Formula : C5H9N1S1
Molecular Weight : 115.04557
More Details :
Names & Synonyms: 1-isothiocyanato-2-methyl-propane , 1-isothiocyanato-2-methylpropane
Smiles: CC(CN=C=S)C
InChi : InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChi Key : InChIKey=NSDDRJXKROCWRZ-UHFFFAOYSA-N
PubChem ID : 68960
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.791776
Hydrogen bond donor count : 0 Electric dipole moment : 5.054
XLogP : 2.53 VDW volume : 119.269249
Molecular weight : 115.04557 HOMO-LUMO gap : 8.396000
Herb list :
Refrences & Litretures:
  
302.      Journal:'Food Chemistry'      Year:'2014'      Volume:'165'      Page:'560'      DOI:'10.1016/j.foodchem.2014.05.126'      Title:'Chemical composition, antimicrobial property and microencapsulation of Mustard (Sinapis alba) seed essential oil by complex coacervation'
304.      Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences'      Year:'2011'      Volume:'2'      Page:'1136'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil from Sinapis alba L. and Sinapis arvensis L. (Brassicaceae) growing wild in Jordan'
762.      Journal:'Iranian Journal of Pharmaceutical Sciences'      Year:'2010'      Volume:'6'      Page:'141'      DOI:''      Title:'Volatile Constituents of the Seed Kernel and Leaf of Moringa peregrina (Forssk.) Fiori, Agricolt. Cultivated in Chabahar (Iran)'
763.      Journal:'Journal of Medicinal Plants'      Year:'2014'      Volume:'13'      Page:'87'      DOI:''      Title:'Determination of Volatile Oil Constituents in Root and Shoot of Moringa peregrina (Forssk.) Fiori in Saline Soil'
764.      Journal:'Research in Pharmaceutical Sciences'      Year:'2012'      Volume:'7'      Page:'51'      DOI:''      Title:'Determination of volatile glucosinolate degradation products in seed coat, stem and in vitro cultures of Moringa peregrina (Forssk.) Fiori'
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