Propyl n-butyl disulfide

ScientificNameLabel

Propyl n-butyl disulfide
PHCD compound ID :	777
Chemical Names :	Propyl n-butyl disulfide
Molecular Formula :	C7H16S2
Molecular Weight :	164.069343

More Details :

Names & Synonyms:	1-(propyldisulfanyl)butane
Smiles:	CCCCSSCCC
InChi :	InChI=1S/C7H16S2/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
InChi Key :	InChIKey=VITWKRWSBFUVDT-UHFFFAOYSA-N
PubChem ID :	522458

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	8.679314
Hydrogen bond donor count :	0	Electric dipole moment :	2.529
XLogP :	3.567	VDW volume :	166.646399
Molecular weight :	164.069343	HOMO-LUMO gap :	7.943000

Herb list :

Asafetida, Assa-foetida, Asafoetida - Ferula assa-foetida - آنغوزه، آنقوزه

Refrences & Litretures:


54. Journal:'Research Journal of Pharmacognosy' Year:'2014' Volume:'1' Page:'51' DOI:'' Title:'Assessment of chemical composition of essential oil of Ferula assa-foetida oleogum-resin from two different sites of Yazd province in center of Iran'

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