221511 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 2 3 3 3 4 4 4 5 5 5 6 6 6 8 8 8 9 9 9 7 23 7 5 6 7 8 9 16 10 11 12 13 14 15 17 18 19 20 21 22 1 1 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 3.135 2.269 1.403 1.836 0.5369 1.403 2.269 2.702 0.9699 0.8469 0 0.2269 0.783 1.403 2.023 1.836 3.012 3.2389 2.392 1.28 0.433 0.6599 3.672 1.62 3.12 1.62 5.74 2.12 0.62 2.12 6.24 6.24 2.6569 2.43 1.5831 0.62 0 0.62 5.12 5.7031 6.55 6.7769 6.7769 6.55 5.7031 1.93 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 62.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0630000600000000000000000000000000000000000000000000000000000000000001404100000000000000004020003C000040400000000000000000000080000800800000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 dimethylcarbamodithioic acid;N-methylmethanamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 dimethylcarbamodithioic acid;N-methylmethanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 dimethylcarbamodithioic acid;<I>N</I>-methylmethanamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 dimethylcarbamodithioic acid;N-methylmethanamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 dimethylcarbamodithioic acid;N-methylmethanamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 dimethylamine;dimethylcarbamodithioic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UVOFGKIRTCCNKG-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.05984080 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H14N2S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNC.CN(C)C(=S)S SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNC.CN(C)C(=S)S Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 48.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 166.05984080 9 0 0 0 0 0 0 0 2 -1