28593 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 82 16 16 16 16 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 -1 3 -1 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 17 16 17 8 9 16 10 11 17 12 18 19 13 20 21 14 22 23 15 24 25 26 27 28 29 30 31 32 33 34 35 36 37 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 6.3301 5.4641 7.1962 4.5981 8.0622 3.732 8.9282 2.866 3.732 9.7942 8.9282 2 2.866 10.6603 9.7942 4.5981 8.0622 3.2646 2.4675 3.9441 4.3426 10.1928 9.3957 8.3176 8.7162 1.69 1.4631 2.31 2.556 2.3291 3.176 10.3503 11.1972 10.9703 9.4842 10.3312 10.1042 0.5 0 0 1.5 1.5 0 -0 0.5 -1 0.5 -1 0 -1.5 -0 -1.5 0.5 0.5 0.9749 0.9749 -1.5826 -0.8923 0.9749 0.9749 -0.8923 -1.5826 0.5369 -0.31 -0.5369 -0.9631 -1.81 -2.0369 -0.5369 -0.31 0.5369 -2.0369 -1.81 -0.9631 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0730000700000000000000040000000000000000000000000000000000000000000001C04000000000000C100040200030000000400000000000000000000080000000800000000000000000000000000008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 plumbous;N,N-diethylcarbamodithioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethylcarbamodithioate;lead(2+) IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-diethylcarbamodithioate;lead(2+) IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethylcarbamodithioate;lead(2+) IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-diethylcarbamodithioate;lead(2+) IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 plumbous;N,N-diethylcarbamodithioate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C5H11NS2.Pb/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XTFSWQKNABTKAT-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 504.02759 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H20N2PbS4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 504 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Pb+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 504.02759 17 0 0 0 0 0 0 0 3 1