28020 1 2 3 4 5 6 7 8 9 16 16 8 8 8 8 8 1 1 1 1 1 1 2 2 3 4 2 3 5 6 4 7 8 9 1 1 2 2 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 3.403 4.269 2.5369 5.135 2.903 3.903 4.269 2 5.672 -0.317 0.183 -0.817 -0.317 0.549 -1.183 1.183 -0.507 -0.007 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 155 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000038006000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000800000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/H2O5S2/c1-6(2)7(3,4)5/h(H,1,2)(H,3,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WBZKQQHYRPRKNJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 145.93436551 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H2O5S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 146.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OS(=O)S(=O)(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OS(=O)S(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 119 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 145.93436551 7 0 0 0 0 0 0 0 1 -1