cyclopentyl isothiocianate

ScientificNameLabel

cyclopentyl isothiocianate
PHCD compound ID :	4750
Chemical Names :	cyclopentyl isothiocianate
Molecular Formula :	C6H9N1S1
Molecular Weight :	127.04557

More Details :

Names & Synonyms:	isothiocyanatocyclopentane
Smiles:	S=C=NC1CCCC1
InChi :	InChI=1S/C6H9NS/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
InChi Key :	InChIKey=PJOODZCPFADLCI-UHFFFAOYSA-N
PubChem ID :	141792

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.807835
Hydrogen bond donor count :	0	Electric dipole moment :	4.864
XLogP :	2.777	VDW volume :	124.208775
Molecular weight :	127.04557	HOMO-LUMO gap :	8.443000

Herb list :

Woad - Isatis tinctoria - وسمه

Refrences & Litretures:


752. Journal:'Journal of Essential Oil Research' Year:'2011' Volume:'22' Page:'483' DOI:'org/10.1080/10412905.2010.9700377' Title:'Volatile Constituents in Dried Roots of Isatis tinctorial L. (Brassicaceae)'

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