indolylmethylisothiocyanate

Properties Image MNX_ID MNXM7445 reference metacycM:CPDQT-429 formula C10H8N2S global charge 0 mol weight 188.255 InChIKey IUGVJHWSHLFGAU-UHFFFAOYSA-N InChI InChI=1S/C10H8N2S/c13-7-11-5-8-6-12-10-4-2-1-3-9(8)10/h1-4,6,12H,5H2 SMILES S=C=NCC1=CNC2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C10H8N2S/c13-7-11-5-8-6-12-10-4-2-1-3-9(8)10/h1-4,6,12H,5H2 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[C:8]([CH2:5][N:11]=[C:7]=[S:13])=[CH:6][NH:12]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0