Skip Navigation Links
ScientificNameLabel
2,4,6-Trimethyl-5H-1,3,5-dithiazine
PHCD compound ID : 4286
Chemical Names :
2,4,6-Trimethyl-5H-1,3,5-dithiazine
Molecular Formula : C6H13N1S2
Molecular Weight : 163.048941
More Details :
Names & Synonyms: 2,4,6-trimethyl-1,3,5-dithiazinane
Smiles: C[C@@H]1N[C@H](C)S[C@H](S1)C
InChi : InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3/t4-,5+,6+
InChi Key : InChIKey=FBMVFHKKLDGLJA-FMCRUOTFSA-N
PubChem ID : 12518
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.655307
Hydrogen bond donor count : 1 Electric dipole moment : 2.262
XLogP : 1.699 VDW volume : 147.990716
Molecular weight : 163.048941 HOMO-LUMO gap : 8.457000
Herb list :
Refrences & Litretures:
  
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us