4096 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 15 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 5 6 6 6 7 7 7 2 6 3 4 5 7 8 9 10 11 12 13 14 15 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 3 4 5 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 2.866 3.732 3.232 4.232 4.5981 2 3.732 5.135 4.5981 2.31 1.4631 1.69 4.269 4.042 3.1951 -0.933 -0.433 0.433 -1.299 0.067 -0.433 1.299 -0.243 0.687 0.1039 -0.123 -0.9699 0.989 1.836 1.609 3 2 5 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 95.7 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C04230024000000000000000000000000000000000000000000000000000000000000012041080200000000000028200000001100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 [amino(methylsulfanyl)phosphoryl]oxymethane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 [amino-(methylthio)phosphoryl]oxymethane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 [amino(methylsulfanyl)phosphoryl]oxymethane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 [azanyl(methylsulfanyl)phosphoryl]oxymethane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 [methoxy-(methylthio)phosphoryl]amine InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 NNKVPIKMPCQWCG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.001336 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H8NO2PS Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.129182 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 COP(=O)(N)SC SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 COP(=O)(N)SC Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 77.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 141.001336 7 1 0 1 0 0 0 0 1 2