Skip Navigation Links
ScientificNameLabel
methyl thiocyanate
PHCD compound ID : 2588
Chemical Names :
Thiocyanic acid,methyl ester , methyl thiocyanate
Molecular Formula : C2H3N1S1
Molecular Weight : 72.99862
More Details :
Names & Synonyms: methyl thiocyanate , thiocyanic acid methyl ester
Smiles: CSC#N
InChi : InChI=1S/C2H3NS/c1-4-2-3/h1H3
InChi Key : InChIKey=VYHVQEYOFIYNJP-UHFFFAOYSA-N
PubChem ID : 11168
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.387418
Hydrogen bond donor count : 0 Electric dipole moment : 3.758
XLogP : 0.547 VDW volume : 67.381295
Molecular weight : 72.99862 HOMO-LUMO gap : 8.500000
Herb list :
Refrences & Litretures:
  
301.      Journal:'Journal of Chromatography A'      Year:'930'      Volume:'2001'      Page:'1'      DOI:''      Title:'Comparison of simultaneous distillation extraction and solid-phase microextraction for the determination of volatile ?avor components'
752.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'22'      Page:'483'      DOI:'org/10.1080/10412905.2010.9700377'      Title:'Volatile Constituents in Dried Roots of Isatis tinctorial L. (Brassicaceae)'
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us