3005837 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 30 16 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 4 -1 5 -1 2 3 4 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 8 9 6 7 8 10 9 11 12 13 14 18 15 19 16 20 17 21 16 22 17 23 24 25 2 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 4.5981 4.5981 2 4.5981 3.732 5.4641 3.732 5.4641 2.866 6.3301 4.5981 6.3301 2.866 7.1962 4.5981 7.1962 3.732 6.3301 5.135 6.3301 2.3291 7.7331 5.135 7.7331 3.732 -0.25 -3.25 1.25 -1.25 0.25 -1.75 1.25 -2.75 1.75 -1.25 1.75 -3.25 2.75 -1.75 2.75 -2.75 3.25 -0.63 1.44 -3.87 3.06 -1.44 3.06 -3.06 3.87 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 9 10 11 12 13 14 15 8 10 9 11 12 13 14 15 16 17 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 162 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000600000020000000000000000000000000000204000000000000000000000001C04040000000800C140040000021000008400204640008000000002082808000800000800000001000000000000000080000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;1-oxidopyridine-2-thione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;1-oxido-2-pyridinethione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;1-oxidopyridine-2-thione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;1-oxidopyridine-2-thione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;1-oxidanidylpyridine-2-thione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;1-oxidopyridine-2-thione InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PICXIOQBANWBIZ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.931862 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H8N2O2S2Zn Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 317.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Zn+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 117 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.931862 17 0 0 0 0 0 0 0 3 -1