p-Thiocyanatophenol

ScientificNameLabel

p-Thiocyanatophenol
PHCD compound ID :	2766
Chemical Names :	p-Thiocyanatophenol
Molecular Formula :	C7H5N1O1S1
Molecular Weight :	151.009185

More Details :

Names & Synonyms:	(4-hydroxyphenyl) thiocyanate , thiocyanic acid (4-hydroxyphenyl) ester
Smiles:	N#CSc1ccc(cc1)O
InChi :	InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H
InChi Key :	InChIKey=FMRRFPFZGPDDLZ-UHFFFAOYSA-N
PubChem ID :	220327

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.366445
Hydrogen bond donor count :	1	Electric dipole moment :	4.512
XLogP :	0.668	VDW volume :	131.48561
Molecular weight :	151.009185	HOMO-LUMO gap :	8.376000

Herb list :

Cucumber - Cucumis sativus - خیار

Refrences & Litretures:


320. Journal:'Journal of Chemical Ecology' Year:'1994' Volume:'20' Page:'21' DOI:'' Title:'PHYTOTOXIC SUBSTANCES IN ROOT EXUDATES OF CUCUMBER (Cucumis sativus L.)'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us