Thiomethyl-sulphoxide-conjugate-acetaminophen

Properties Image MNX_ID MNXM744918 reference biggM:thsacmp formula C9H11NO3S global charge 0 mol weight 213.258 InChIKey VZJAYBKNOKZSRA-UHFFFAOYSA-N InChI InChI=1S/C9H11NO3S/c1-6(11)10-7-3-4-8(12)9(5-7)14(2)13/h3-5,12H,1-2H3,(H,10,11) SMILES CC(=O)NC1=CC(S(C)=O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C9H11NO3S/c1-6(11)10-7-3-4-8(12)9(5-7)14(2)13/h3-5,12H,1-2H3,(H,10,11)/t14? SMILES (mnx) [CH3:1][C:6](=[N:10][C:7]1=[CH:5][C:9]([S:14]([CH3:2])=[O:13])=[C:8]([OH:12])[CH:4]=[CH:3]1)[OH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 4