5353758 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 16 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 6 7 7 7 8 8 8 10 10 10 6 10 5 9 9 8 9 14 6 7 11 12 13 15 16 17 18 19 20 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 5 -1 2 6 1 7 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 2.866 5.4641 6.3301 7.1962 4.5981 3.732 3.732 8.0622 6.3301 2 4.352 3.732 3.112 7.1962 7.7522 8.5991 8.3722 2.31 1.4631 1.69 -0.25 0.25 -1.25 0.25 -0.25 0.25 1.25 -0.25 -0.25 0.25 1.25 1.87 1.25 0.87 -0.7869 -0.56 0.2869 0.7869 0.56 -0.2869 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0633000400000000000000000000000000000000000000000000000000000000000001E04140000000000814004820802D000082800002018000000000000100000801800010000000000000000000002000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 (1E)-N-(methylcarbamoyloxy)ethanimidothioic acid methyl ester IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 methyl (1E)-N-(methylcarbamoyloxy)ethanimidothioate IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 (1E)-N-(methylcarbamoyloxy)thioacetimidic acid methyl ester InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+ InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 UHXUZOCRWCRNSJ-QPJJXVBHSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 162.046299 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C5H10N2O2S Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 162.2101 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CC(=NOC(=O)NC)SC SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C/C(=N\OC(=O)NC)/SC Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 76 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 162.046299 10 0 0 0 1 1 0 0 1 4