Thiocyanic acid,phenylmethyl ester

ScientificNameLabel

Thiocyanic acid,phenylmethyl ester
PHCD compound ID :	4780
Chemical Names :	Thiocyanic acid,phenylmethyl ester
Molecular Formula :	C8H7N1S1
Molecular Weight :	149.02992

More Details :

Names & Synonyms:	benzyl thiocyanate , thiocyanic acid (phenylmethyl) ester , (phenylmethyl) thiocyanate , thiocyanic acid benzyl ester
Smiles:	N#CSCc1ccccc1
InChi :	InChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChi Key :	InChIKey=ABNDFSOIUFLJAH-UHFFFAOYSA-N
PubChem ID :	18170

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	9.376549
Hydrogen bond donor count :	0	Electric dipole moment :	4.013
XLogP :	1.374	VDW volume :	139.991368
Molecular weight :	149.02992	HOMO-LUMO gap :	8.488000

Herb list :

Moringa - Moringa peregrina - گز روغنی، گاز رخ

Refrences & Litretures:


763. Journal:'Journal of Medicinal Plants' Year:'2014' Volume:'13' Page:'87' DOI:'' Title:'Determination of Volatile Oil Constituents in Root and Shoot of Moringa peregrina (Forssk.) Fiori in Saline Soil'

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