Skip Navigation Links
ScientificNameLabel
3-Methyl dibenzothiophene
PHCD compound ID : 5388
Chemical Names :
3-Methyl dibenzothiophene
Molecular Formula : C13H10S1
Molecular Weight : 198.050321
More Details :
Names & Synonyms: 3-methyldibenzothiophene
Smiles: Cc1ccc2c(c1)sc1c2cccc1
InChi : InChI=1S/C13H10S/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3
InChi Key : InChIKey=URUCEYZTJIJMLX-UHFFFAOYSA-N
PubChem ID : 27940
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.373106
Hydrogen bond donor count : 0 Electric dipole moment : 1.466
XLogP : 2.283 VDW volume : 166.325155
Molecular weight : 198.050321 HOMO-LUMO gap : 7.759000
Herb list :
Refrences & Litretures:
  
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us