139602 1 2 3 4 5 6 16 16 16 16 16 16 1 1 2 3 4 5 2 3 4 5 6 6 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 2.866 2 3.732 2 3.732 2.866 -1 -0.5 -0.5 0.5 0.5 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 15.5 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000000007000000000000000000000000000000000002400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hexathiane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hexathiane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hexathiane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hexathiane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,6-hexathiane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 hexathiane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/S6/c1-2-4-6-5-3-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FEXCMMPRRBSCRG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.83242704 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 S6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 192.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 S1SSSSS1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 S1SSSSS1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 152 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.83242704 6 0 0 0 0 0 0 0 1 -1