5366415 1 2 3 4 5 6 7 8 9 10 16 16 11 7 6 6 1 1 1 1 1 -1 3 1 1 1 2 4 4 4 5 5 5 3 6 6 5 6 7 8 9 10 7 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 4.5981 3.732 5.4641 2.866 2 3.732 2.866 1.69 1.4631 2.31 0.44 -1.06 -0.06 0.44 -0.06 -0.06 1.06 0.4769 -0.37 -0.5969 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0000037180420020600000000000000000000000000000000000000000000000000000000000001404100000000000000004020002C000000400000000000000000000090000800800000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;N-methylcarbamodithioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;N-methylcarbamodithioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;<I>N</I>-methylcarbamodithioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;N-methylcarbamodithioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;N-methylcarbamodithioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sodium;N-methylcarbamodithioate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AFCCDDWKHLHPDF-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 128.96828576 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H4NNaS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 129.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNC(=S)[S-].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CNC(=S)[S-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 45.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 128.96828576 6 0 0 0 0 0 0 0 2 -1