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ScientificNameLabel
Thianthrene
PHCD compound ID : 5511
Chemical Names :
Thianthrene
Molecular Formula : C12H8S2
Molecular Weight : 216.006742
More Details :
Names & Synonyms: thianthrene
Smiles: c1ccc2c(c1)Sc1c(S2)cccc1
InChi : InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChi Key : InChIKey=GVIJJXMXTUZIOD-UHFFFAOYSA-N
PubChem ID : 7109
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.181903
Hydrogen bond donor count : 0 Electric dipole moment : 1.504
XLogP : 1.798 VDW volume : 178.438194
Molecular weight : 216.006742 HOMO-LUMO gap : 7.532000
Herb list :
Refrences & Litretures:
  
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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