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(4-methoxyindol-3-ylmethyl)isothiocyanate

PropertiesImage
MNX_IDMNXM10211 Image of MNXM10211
referencechebi:136938
formulaC11H10N2OS
global charge0
mol weight218.281
InChIKeyIMQUXUBOZWPMFX-UHFFFAOYSA-N
InChIInChI=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
SMILESCOC1=CC=CC2=C1C(CN=C=S)=CN2
MNX internals
InChI (mnx)InChI=1/C11H10N2OS/c1-14-10-4-2-3-9-11(10)8(6-13-9)5-12-7-15/h2-4,6,13H,5H2,1H3 Image of MNXM10211
SMILES (mnx)[CH3:1][O:14][C:10]1=[CH:4][CH:2]=[CH:3][C:9]2=[C:11]1[C:8]([CH2:5][N:12]=[C:7]=[S:15])=[CH:6][NH:13]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136938
chebi:136938
IMQUXUBOZWPMFX-UHFFFAOYSA-N
(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
IMQUXUBOZWPMFX-UHFFFAOYSA-N
4-methoxy-3-indolylmethylisothiocyanate

seedM:M_cpd26653
secondary/obsolete/fantasy identifier