Cu:pyrimidine-2-thiocarboxylate, 6-carboxylate

Properties Image MNX_ID MNXM11209 reference metacycM:CPD-8212 formula C7H4ClCuNO3S global charge 0 mol weight 281.179 InChIKey KKUMHWIODKCDNS-UHFFFAOYSA-K InChI InChI=1S/C7H6NO3S.ClH.Cu/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-4H,(H,9,10)(H,11,12);1H;/q-1;;+4/p-3 SMILES O=C1S[Cu]2(Cl)OC(=O)C3C=CC=C1N32 MNX internals InChI (mnx) InChI=1/C7H6NO3S.ClH.Cu/c9-6(10)4-2-1-3-5(8-4)7(11)12;;/h1-4H,(H,9,10)(H,11,12);1H;/q-1;;+4/t4?;; SMILES (mnx) [CH:1]1=[CH:2][CH:4]([C:6](=[O:9])[OH:10])[N-:8][C:5]([C:7](=[O:11])[SH:12])=[CH:3]1.[ClH:13].[Cu+4:14]

Parent-child relations graph

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