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ScientificNameLabel
Methyl isothiocyanate
PHCD compound ID : 4170
Chemical Names :
Methyl isothiocyanate
Molecular Formula : C2H3N1S1
Molecular Weight : 72.99862
More Details :
Names & Synonyms: methylimino(thioxo)methane , methylimino(sulfanylidene)methane
Smiles: CN=C=S
InChi : InChI=1S/C2H3NS/c1-3-2-4/h1H3
InChi Key : InChIKey=LGDSHSYDSCRFAB-UHFFFAOYSA-N
PubChem ID : 11167
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.892142
Hydrogen bond donor count : 0 Electric dipole moment : 4.654
XLogP : 1.618 VDW volume : 67.381295
Molecular weight : 72.99862 HOMO-LUMO gap : 8.424000
Herb list :
Refrences & Litretures:
  
581.      Journal:'Journal of Food Biochemistry'      Year:'2010'      Volume:'34'      Page:'286'      DOI:'10.1111/j.1745-4514.2009.00330.x'      Title:'EVALUATION OF THE ANTIOXIDANT ACTIVITY OF ESSENTIAL OILS FROM CAPER (CAPPARIS SPINOSA) AND SEA FENNEL (CRITHMUM MARITIMUM) BY DIFFERENT METHODS'
583.      Journal:'Food Chemistry'      Year:'2012'      Volume:'132'      Page:'261'      DOI:'10.1016/j.foodchem.2011.10.074'      Title:'The anticarcinogenic potential of essential oil and aqueous infusion from caper (Capparis spinosa L.)'
818.      Journal:'International Journal of Phytomedicine'      Year:'2010'      Volume:'2'      Page:'10'      DOI:'10.5138/ijpm.2010.0975.0185.02002'      Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'
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