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(4-methoxyindol-3-ylmethyl)isothiocyanate

Properties

Image

Occurences in reactions

MNX_ID

MNXM10211

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₁H₁₀N₂OS

charge

mass

218.05138

reference

InChIKey

IMQUXUBOZWPMFX-UHFFFAOYSA-N

InChI

InChI=1S/C11H10N2OS/c1-14-10-4-2-3-9-11(10)8(6-13-9)5-12-7-15/h2-4,6,13H,5H2,1H3

SMILES

COc1cccc2[nH]cc(CN=C=S)c12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136938 chebi:136938	(4-methoxyindol-3-ylmethyl)isothiocyanate 3-(isothiocyanatomethyl)-4-methoxy-1H-indole 3-(isothiocyanatomethyl)-4-methoxyindole 4-methoxy-3-indolylmethylisothiocyanate 4-methoxyindol-3-ylmethyl isothiocyanate
metacyc.compound:CPDQT-433 metacycM:CPDQT-433 seed.compound:cpd26653 seedM:cpd26653	4-methoxy-3-indolylmethylisothiocyanate
seedM:M_cpd26653	secondary/obsolete/fantasy identifier