11728 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 16 16 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 3 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 5 6 10 11 7 8 9 12 13 14 15 16 17 18 19 20 21 22 23 1 2 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 3.135 2.269 1.5675 1.403 2.4335 0.7015 0.5369 1.403 2.269 1.2575 1.8775 2.7435 2.9705 2.1235 0.3915 0.1645 1.0115 0.8469 0 0.2269 0.783 1.403 2.023 1.62 3.12 6.1569 1.62 6.6569 5.6569 2.12 0.62 2.12 6.6939 5.62 6.12 6.9669 7.1939 6.1939 5.3469 5.12 2.6569 2.43 1.5831 0.62 0 0.62 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.1 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 00000371C0630000600000000000000000000000000000000000000000000000000000000000001404100000000000000004020003C000000400000000000000000000080000800800000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylammonium;N,N-dimethylcarbamodithioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylammonium;N,N-dimethylcarbamodithioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylazanium;<I>N</I>,<I>N</I>-dimethylcarbamodithioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylazanium;N,N-dimethylcarbamodithioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylazanium;N,N-dimethylcarbamodithioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylammonium;N,N-dimethylcarbamodithioate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UVOFGKIRTCCNKG-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 166.05984080 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H14N2S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 166.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[NH2+]C.CN(C)C(=S)[S-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[NH2+]C.CN(C)C(=S)[S-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 166.05984080 9 0 0 0 0 0 0 0 2 -1