6327770 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 26 27 28 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 1 1 6 1 1 1 2 3 4 4 5 5 6 6 7 7 8 8 8 8 10 10 11 11 12 13 14 14 15 15 16 16 17 4 5 9 13 6 23 7 25 9 11 13 14 9 10 18 19 12 20 12 21 22 15 16 24 17 26 17 27 28 6 6 2 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 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 26 27 28 4.5981 2 4.5981 3.732 4.5981 3.732 5.4641 2.866 2.866 3.732 4.5981 4.5981 5.4641 6.3301 6.3301 7.1962 7.1962 2.654 2.2554 3.732 5.135 5.135 3.1951 6.3301 4.0611 6.3301 7.7331 7.7331 -0.25 1.25 -3.25 0.25 -1.25 1.25 -1.75 2.75 1.75 3.25 1.75 2.75 -2.75 -1.25 -3.25 -1.75 -2.75 3.3326 2.6423 3.87 1.44 3.06 -0.06 -0.63 -1.56 -3.87 -1.44 -3.06 8 8 8 8 8 8 7 7 13 14 15 16 13 14 15 16 17 17 1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 417 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0733000600000020000000000000000000000000000204000000000000000000000001C04040800000800C14004000002100000A400306744008000002002082808001800180800000001000000000000000880020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-hydroxypyridine-2-thione;1-hydroxy-3H-pyridin-1-ium-2-thione;zinc IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-hydroxy-2-pyridinethione;1-hydroxy-3H-pyridin-1-ium-2-thione;zinc IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-hydroxypyridine-2-thione;1-hydroxy-3<I>H</I>-pyridin-1-ium-2-thione;zinc IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-hydroxypyridine-2-thione;1-hydroxy-3H-pyridin-1-ium-2-thione;zinc IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-oxidanylpyridine-2-thione;1-oxidanyl-3H-pyridin-1-ium-2-thione;zinc IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-hydroxypyridine-2-thione;1-hydroxy-3H-pyridin-1-ium-2-thione;zinc InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C5H6NOS.C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h1-2,4,7H,3H2;1-4,7H;/q+1;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BSRFMRZGMWYJEK-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.955337 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H11N2O2S2Zn+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C=CC=[N+](C1=S)O.C1=CC(=S)N(C=C1)O.[Zn] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C=CC=[N+](C1=S)O.C1=CC(=S)N(C=C1)O.[Zn] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 111 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.955337 17 0 0 0 0 0 0 0 3 -1