3034198 1 2 3 4 5 6 7 16 16 16 16 11 11 6 2 -1 4 -1 5 1 6 1 1 1 2 3 4 7 7 7 1 1 1 2 1 5 255 1 2 3 4 5 6 7 4.5981 2.866 3.732 5.4641 6.3301 2 3.732 0.75 0.75 -0.75 0.25 0.75 0.25 0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 33.4 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371000000307000000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;sulfidosulfanylmethanedithioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;(sulfidothio)methanedithioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;sulfidosulfanylmethanedithioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;sulfidosulfanylmethanedithioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;sulfanidylsulfanylmethanedithioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;(sulfidothio)methanedithioate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH2S4.2Na/c2-1(3)5-4;;/h4H,(H,2,3);;/q;2*+1/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HZBLLTXMVMMHRJ-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.86782326 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CNa2S4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=S)([S-])S[S-].[Na+].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=S)([S-])S[S-].[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.86782326 7 0 0 0 0 0 0 0 3 -1