Allyl thiocyanate

ScientificNameLabel

Allyl thiocyanate
PHCD compound ID :	3621
Chemical Names :	Allyl thiocyanate
Molecular Formula :	C4H5N1S1
Molecular Weight :	99.01427

More Details :

Names & Synonyms:	allyl thiocyanate , thiocyanic acid prop-2-enyl ester , prop-2-enyl thiocyanate , thiocyanic acid allyl ester
Smiles:	C=CCSC#N
InChi :	InChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2
InChi Key :	InChIKey=IFVYHJRLWCUVBB-UHFFFAOYSA-N
PubChem ID :	69816

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.405323
Hydrogen bond donor count :	0	Electric dipole moment :	3.816
XLogP :	0.897	VDW volume :	99.336805
Molecular weight :	99.01427	HOMO-LUMO gap :	8.499000

Herb list :

Turnip - Brassica rapa - شلغم

Refrences & Litretures:


505. Journal:'Microchemical Journal' Year:'2009' Volume:'93' Page:'140' DOI:'10.1016/j.microc.2009.05.011' Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'

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