Cyclopropyl isothiocyanate

ScientificNameLabel

Cyclopropyl isothiocyanate
PHCD compound ID :	2597
Chemical Names :	Cyclopropyl isothiocyanate
Molecular Formula :	C4H5N1S1
Molecular Weight :	99.01427

More Details :

Names & Synonyms:	isothiocyanatocyclopropane
Smiles:	S=C=NC1CC1
InChi :	InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2
InChi Key :	InChIKey=JGFBQFKZKSSODQ-UHFFFAOYSA-N
PubChem ID :	92463

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.913732
Hydrogen bond donor count :	0	Electric dipole moment :	4.098
XLogP :	2.061	VDW volume :	89.616805
Molecular weight :	99.01427	HOMO-LUMO gap :	8.329000

Herb list :

White mustard - Sinapis alba - خردل سفید

Refrences & Litretures:


302. Journal:'Food Chemistry' Year:'2014' Volume:'165' Page:'560' DOI:'10.1016/j.foodchem.2014.05.126' Title:'Chemical composition, antimicrobial property and microencapsulation of Mustard (Sinapis alba) seed essential oil by complex coacervation'

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