Diisopropyl sulfide

ScientificNameLabel

Diisopropyl sulfide
PHCD compound ID :	5502
Chemical Names :	Diisopropyl sulfide
Molecular Formula :	C6H14S1
Molecular Weight :	118.081621

More Details :

Names & Synonyms:	2-isopropylsulfanylpropane , 2-(propan-2-ylthio)propane , 2-propan-2-ylsulfanylpropane , 2-(isopropylthio)propane
Smiles:	CC(SC(C)C)C
InChi :	InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChi Key :	InChIKey=XYWDPYKBIRQXQS-UHFFFAOYSA-N
PubChem ID :	12264

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	8.368450
Hydrogen bond donor count :	0	Electric dipole moment :	2.034
XLogP :	2.621	VDW volume :	130.841391
Molecular weight :	118.081621	HOMO-LUMO gap :	8.756000

Herb list :

Globe thistle - Echinops robustus - شکرتیغال غول آسا

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'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us