trichloromethylthioester of Cu:pyrimidine-2,6-bis(thiocarboxylate)

Properties Image MNX_ID MNXM13158 reference metacycM:CPD-8210 formula C8H4Cl5CuNO2S2 global charge 0 mol weight 451.07 InChIKey RQSAQFSMASRCOP-UHFFFAOYSA-K InChI InChI=1S/C8H5Cl3NO2S2.2ClH.Cu/c9-8(10,11)16-7(14)5-3-1-2-4(12-5)6(13)15;;;/h1-3,5H,(H,13,15);2*1H;/q-1;;;+4/p-3 SMILES O=C1S[Cu](Cl)(Cl)N2C1=CC=CC2C(=O)SC(Cl)(Cl)Cl MNX internals InChI (mnx) InChI=1/C8H5Cl3NO2S2.2ClH.Cu/c9-8(10,11)16-7(14)5-3-1-2-4(12-5)6(13)15;;;/h1-3,5H,(H,13,15);2*1H;/q-1;;;+4/t5?;;; SMILES (mnx) [CH:1]1=[CH:3][CH:5]([C:7](=[O:14])[S:16][C:8]([Cl:9])([Cl:10])[Cl:11])[N-:12][C:4]([C:6]([OH:13])=[S:15])=[CH:2]1.[ClH:17].[ClH:18].[Cu+4:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0