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ScientificNameLabel
Phenol.4-(methylthio)-
PHCD compound ID : 3729
Chemical Names :
Phenol.4-(methylthio)-
Molecular Formula : C7H8O1S1
Molecular Weight : 140.029586
More Details :
Names & Synonyms: 4-methylsulfanylphenol , 4-(methylthio)phenol
Smiles: CSc1ccc(cc1)O
InChi : InChI=1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChi Key : InChIKey=QASBCTGZKABPKX-UHFFFAOYSA-N
PubChem ID : 14086
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.539250
Hydrogen bond donor count : 1 Electric dipole moment : 2.354
XLogP : 1.432 VDW volume : 125.761767
Molecular weight : 140.029586 HOMO-LUMO gap : 8.244000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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