28019 1 2 3 4 5 6 7 8 9 19 19 16 16 8 8 8 8 8 1 1 2 1 5 -1 8 -1 3 3 3 3 4 4 4 5 6 7 8 9 1 1 2 2 1 2 1 5 255 1 2 3 4 5 6 7 8 9 2 6.3301 3.732 4.5981 2.866 3.232 4.232 5.4641 4.5981 -0.317 0.183 -0.317 0.183 -0.817 0.549 -1.183 -0.317 1.183 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 136 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000038006060000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.4 InChI nist.gov 2012.02.08 InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2 InChIKey Standard 1 1.0.4 InChI nist.gov 2012.02.08 RWPGFSMJFRPDDP-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 221.846128 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 K2O5S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 222.3236 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 [O-]S(=O)S(=O)(=O)[O-].[K+].[K+] SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 [O-]S(=O)S(=O)(=O)[O-].[K+].[K+] Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 125 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 221.846128 9 0 0 0 0 0 0 0 3 1