448265 1 2 3 4 5 6 26 26 16 16 1 1 1 2 3 -1 4 -1 1 1 2 2 3 4 3 4 3 4 5 6 6 6 6 6 1 1 1 5 255 1 2 3 4 5 6 2.4384 3.4384 3.4384 2.4384 3.8768 2 0.5 -0.5 0.5 -0.5 0.9384 -0.9384 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000000006000002000000000000000004800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ferrous;iron;sulfanide IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 iron;iron(2+);sulfanide IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 iron;iron(2+);sulfanide IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 iron;iron(2+);sulfanide IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ferrous;iron;dibisulfide InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2Fe.2H2S/h;;2*1H2/q;+2;;/p-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BKWBIMSGEOYWCJ-UHFFFAOYSA-L Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 177.829667 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Fe2H2S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 177.83588 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [SH-].[SH-].[Fe].[Fe+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [SH-].[SH-].[Fe].[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 177.829667 4 0 0 0 0 0 0 0 4 1