7347 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 16 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 8 8 8 9 9 9 10 10 10 11 11 11 6 7 6 7 6 8 9 7 10 11 12 13 14 15 16 17 18 19 20 21 22 23 1 1 2 2 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 4.5981 3.732 5.4641 2.866 6.3301 3.732 5.4641 2 2.866 7.1962 6.3301 1.69 1.4631 2.31 3.486 2.866 2.246 6.8862 7.7331 7.5062 6.9501 6.3301 5.7101 0.25 -1.25 -1.25 0.25 0.25 -0.25 -0.25 -0.25 1.25 -0.25 1.25 0.2869 -0.56 -0.7869 1.25 1.87 1.25 -0.7869 -0.56 0.2869 1.25 1.87 1.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 147 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 00000371C06300006000000000000000000000000000000000000000000000000000000000000014040000000000000000040200030000080400000000000000004000080000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylcarbamothioyl N,N-dimethylcarbamodithioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylcarbamodithioic acid [dimethylamino(sulfanylidene)methyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylcarbamothioyl <I>N</I>,<I>N</I>-dimethylcarbamodithioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylcarbamothioyl N,N-dimethylcarbamodithioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dimethylcarbamothioyl N,N-dimethylcarbamodithioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylcarbamodithioic acid dimethylthiocarbamoyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 REQPQFUJGGOFQL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.01626191 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H12N2S3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C(=S)SC(=S)N(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C)C(=S)SC(=S)N(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 96 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 208.01626191 11 0 0 0 0 0 0 0 1 -1