160957 1 2 3 4 5 26 26 16 16 16 1 3 2 3 3 -2 4 -2 5 -2 1 5 255 1 2 3 4 5 2.866 4.5981 3.732 2 2.866 0.25 0.25 0.75 0.75 -0.75 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 0 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 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 00000371000000006000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 diferric;trisulfide IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 iron(3+);trisulfide IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 iron(3+);trisulfide IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 iron(3+);trisulfide IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 diferric;trisulfide InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/2Fe.3S/q2*+3;3*-2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 KAEAMHPPLLJBKF-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 207.786088 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Fe2S3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 207.885 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [S-2].[S-2].[S-2].[Fe+3].[Fe+3] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [S-2].[S-2].[S-2].[Fe+3].[Fe+3] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 207.786088 5 0 0 0 0 0 0 0 5 1