17345 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 16 16 15 8 8 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 6 7 8 8 8 9 9 9 11 11 11 12 12 12 13 13 13 14 3 9 3 4 5 12 13 10 14 10 11 14 10 15 16 17 18 19 20 21 22 23 24 25 26 1 1 2 1 1 1 1 2 2 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 24 25 26 4.5981 4.232 3.732 2.866 3.232 6.3301 8.9282 7.1962 5.4641 6.3301 7.1962 2 3.732 8.0622 5.0656 5.8626 6.5762 7.1962 7.8162 2.31 1.4631 1.69 4.269 4.042 3.1951 8.0622 0.134 -1.232 -0.366 -0.866 0.5 1.134 -0.366 -0.366 -0.366 0.134 -1.366 -0.366 1.366 0.134 -0.841 -0.841 -1.366 -1.986 -1.366 0.1709 -0.056 -0.903 1.056 1.903 1.676 0.754 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 252 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623802600000000000000000000000000000000000000000000000000000000000001E0400002000000085C0068200030001100800011090000000000000000000000800000000000000000000000006200000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethoxyphosphinothioylthio)-N-formyl-N-methylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-dimethoxyphosphinothioylsulfanyl-<I>N</I>-formyl-<I>N</I>-methylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-dimethoxyphosphinothioylsulfanyl-N-methanoyl-N-methyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(dimethoxythiophosphorylthio)-N-formyl-N-methyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AIKKULXCBHRFOS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.99453721 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H12NO4PS2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 257.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C=O)C(=O)CSP(=S)(OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C=O)C(=O)CSP(=S)(OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 256.99453721 14 0 0 0 0 0 0 0 1 -1