4-isothiocyanatobenzoate

Properties Image MNX_ID MNXM37581 reference chebi:64463 formula C8H4NO2S global charge -1 mol weight 178.192 InChIKey RBEFRYQKJYMLCC-UHFFFAOYSA-M InChI InChI=1S/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11)/p-1 SMILES O=C([O-])C1=CC=C(N=C=S)C=C1 MNX internals InChI (mnx) InChI=1/C8H5NO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4H,(H,10,11) SMILES (mnx) [CH:1]1=[CH:3][C:7]([N:9]=[C:5]=[S:12])=[CH:4][CH:2]=[C:6]1[C:8]([OH:10])=[O:11]

Parent-child relations graph

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