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5,6-Dihydro-4-pentyl-2,6-dimethyl-4H-1,3,5-dithiazine
PHCD compound ID : 4288
Chemical Names :
5,6-Dihydro-4-pentyl-2,6-dimethyl-4H-1,3,5-dithiazine
Molecular Formula : C10H21N1S2
Molecular Weight : 219.111542
More Details :
Names & Synonyms:
Smiles: CCCCC[C@@H]1N[C@@H](C)S[C@@H](S1)C
InChi : InChI=1S/C10H21NS2/c1-4-5-6-7-10-11-8(2)12-9(3)13-10/h8-11H,4-7H2,1-3H3/t8-,9+,10-/m1/s1
InChi Key : InChIKey=CHNBDSZQZNEBGF-KXUCPTDWSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.635395
Hydrogen bond donor count : 1 Electric dipole moment : 1.998
XLogP : 3.764 VDW volume : 217.174655
Molecular weight : 219.111542 HOMO-LUMO gap : 8.466000
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'
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