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ScientificNameLabel
4-Methyl dibenzothiophene
PHCD compound ID : 5387
Chemical Names :
4-Methyl dibenzothiophene
Molecular Formula : C13H10S1
Molecular Weight : 198.050321
More Details :
Names & Synonyms: 4-methyldibenzothiophene
Smiles: Cc1cccc2c1sc1c2cccc1
InChi : InChI=1S/C13H10S/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8H,1H3
InChi Key : InChIKey=NICUQYHIOMMFGV-UHFFFAOYSA-N
PubChem ID : 30364
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.319089
Hydrogen bond donor count : 0 Electric dipole moment : 0.719
XLogP : 2.072 VDW volume : 166.325155
Molecular weight : 198.050321 HOMO-LUMO gap : 7.670000
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'
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