4-Pentenyl isothiocyanate

ScientificNameLabel

4-Pentenyl isothiocyanate
PHCD compound ID :	3637
Chemical Names :	4-Pentenyl isothiocyanate
Molecular Formula :	C6H9N1S1
Molecular Weight :	127.04557

More Details :

Names & Synonyms:	5-isothiocyanatopent-1-ene , 5-isothiocyanato-1-pentene
Smiles:	C=CCCCN=C=S
InChi :	InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
InChi Key :	InChIKey=DBISBKDNOKIADM-UHFFFAOYSA-N
PubChem ID :	87436

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.860695
Hydrogen bond donor count :	0	Electric dipole moment :	4.499
XLogP :	3.005	VDW volume :	133.928775
Molecular weight :	127.04557	HOMO-LUMO gap :	8.371000

Herb list :

Turnip - Brassica rapa - شلغم

Refrences & Litretures:


508. Journal:'Flavour Fragr. J' Year:'2005' Volume:'20' Page:'158' DOI:'10.1002/ffj.1335' Title:'Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey'

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