Dibenzothiophene

ScientificNameLabel

Dibenzothiophene
PHCD compound ID :	2475
Chemical Names :	Dibenzothiophene
Molecular Formula :	C12H8S1
Molecular Weight :	184.034671

More Details :

Names & Synonyms:	dibenzothiophene
Smiles:	c1ccc2c(c1)sc1c2cccc1
InChi :	InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChi Key :	InChIKey=IYYZUPMFVPLQIF-UHFFFAOYSA-N
PubChem ID :	3023

Rotatable bond count :	0	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	8.420752
Hydrogen bond donor count :	0	Electric dipole moment :	1.266
XLogP :	1.891	VDW volume :	149.02917
Molecular weight :	184.034671	HOMO-LUMO gap :	7.709000

Herb list :

Betony - Stachys lavandulifolia Vahl - چای کوهی، سنبله ای زیبا

Refrences & Litretures:


285. Journal:'Journal of Herbal Drugs' Year:'2013' Volume:'4' Page:'137' DOI:'' Title:'Phytochemical of essential oil of Stachys lavandulifolia Vahl. collected from a natural habitat in western Isfahan, Iran'

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