2-Phyenyl isothiocyanate

ScientificNameLabel

2-Phyenyl isothiocyanate
PHCD compound ID :	2618
Chemical Names :	2-Phyenyl isothiocyanate
Molecular Formula :	C7H5N1S1
Molecular Weight :	135.01427

More Details :

Names & Synonyms:	isothiocyanatobenzene
Smiles:	S=C=Nc1ccccc1
InChi :	InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChi Key :	InChIKey=QKFJKGMPGYROCL-UHFFFAOYSA-N
PubChem ID :	7673

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	8.792011
Hydrogen bond donor count :	0	Electric dipole moment :	4.302
XLogP :	2.789	VDW volume :	122.695383
Molecular weight :	135.01427	HOMO-LUMO gap :	7.705000

Herb list :

White mustard - Sinapis alba - خردل سفید

Refrences & Litretures:


304. Journal:'Research Journal of Pharmaceutical, Biological and Chemical Sciences' Year:'2011' Volume:'2' Page:'1136' DOI:'' Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil from Sinapis alba L. and Sinapis arvensis L. (Brassicaceae) growing wild in Jordan'

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