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ScientificNameLabel
Benzyl isothiocyante
PHCD compound ID : 2616
Chemical Names :
Benzyl isothiocyante , Benzyl isothiocyanate
Molecular Formula : C8H7N1S1
Molecular Weight : 149.02992
More Details :
Names & Synonyms: isothiocyanatomethylbenzene
Smiles: S=C=NCc1ccccc1
InChi : InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
InChi Key : InChIKey=MDKCFLQDBWCQCV-UHFFFAOYSA-N
PubChem ID : 2346
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.812923
Hydrogen bond donor count : 0 Electric dipole moment : 4.374
XLogP : 2.198 VDW volume : 139.991368
Molecular weight : 149.02992 HOMO-LUMO gap : 8.113000
Herb list :
Refrences & Litretures:
  
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'
508.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'158'      DOI:'10.1002/ffj.1335'      Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'
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.)'
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)'
896.      Journal:'Journal of Essential Oil Research'      Year:'2002'      Volume:'14'      Page:'128'      DOI:'10.1080/10412905.2002.9699795'      Title:'The Composition of the Root Oil of Salvadora persica L'
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