23690437 1 2 3 4 5 6 7 8 9 10 11 12 16 16 11 8 6 6 6 1 1 1 1 1 1 -1 3 1 1 1 2 4 4 5 5 5 6 6 6 3 7 7 5 7 6 8 9 10 11 12 7 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 2.866 3.732 2 4.5981 5.4641 6.3301 3.732 5.0656 5.8626 6.6401 6.8671 6.0201 0.75 -0.75 0.25 0.75 0.25 0.75 0.25 -0.2249 -0.2249 0.2131 1.06 1.2869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 56.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180402020600000000000000000000000000000000000000000000000000000000000001A04000000000000A080020200000004000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;ethoxymethanedithioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;ethoxymethanedithioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;ethoxymethanedithioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;ethoxymethanedithioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;ethoxymethanedithioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;ethoxymethanedithioate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RZFBEFUNINJXRQ-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.96795141 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3H5NaOS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 144.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=S)[S-].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=S)[S-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 42.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 143.96795141 7 0 0 0 0 0 0 0 2 -1