10214455 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 16 16 8 8 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 2 3 4 5 5 6 6 7 7 8 8 9 9 10 11 16 12 17 11 12 6 7 8 11 9 12 10 13 10 14 15 1 1 1 1 2 2 2 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 7.7331 2.5369 6.8671 3.403 5.135 6.001 4.269 6.001 4.269 5.135 6.8671 3.403 6.538 3.732 5.135 8.27 2 0 -0 -1.5 -1.5 -0.5 0 -0 1 1 1.5 -0.5 -0.5 1.31 1.31 2.12 -0.31 -0.31 8 8 8 8 8 8 5 5 6 7 8 9 6 7 8 9 10 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 188 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371806230006000000000000000000000000000000000002C0000000000000000018000001E0400000000080881D600308092081004A80124724400828020270220089821B064D80820F2C095B1842108608000C8C9871888008000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridine-2,6-dicarbothioic S-acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridine-2,6-dicarbothioic S-acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridine-2,6-dicarbothioic S-acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridine-2,6-dicarbothioic S-acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridine-2,6-dicarbothioic S-acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridine-2,6-dicarbothioic S-acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H5NO2S2/c9-6(11)4-2-1-3-5(8-4)7(10)12/h1-3H,(H,9,11)(H,10,12) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SSRIAMRLMUFTNV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 198.97617075 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H5NO2S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 199.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=NC(=C1)C(=O)S)C(=O)S SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=NC(=C1)C(=O)S)C(=O)S Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 198.97617075 12 0 0 0 0 0 0 0 1 -1