2730 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 27 28 29 17 17 17 16 15 8 8 8 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 7 8 9 9 10 10 10 11 11 11 12 13 13 13 14 14 14 15 16 16 17 15 17 18 5 6 7 8 10 11 12 12 18 13 19 20 14 21 22 15 23 24 25 26 27 28 16 17 29 18 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 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 27 28 29 5.4641 2 2 4.4641 5.4641 5.4641 6.4641 5.4641 3.732 6.3301 6.9641 4.5981 6.3301 7.9641 4.5981 3.732 2.866 2.866 6.9407 6.5422 7.0718 6.3815 5.7101 6.3301 6.9501 7.9641 8.5841 7.9641 3.732 2.75 2.75 0.75 -0.25 -0.25 -1.25 -0.25 0.75 0.75 -1.75 0.616 1.25 -2.75 0.616 2.25 2.75 2.25 1.25 -1.8577 -1.1674 1.2266 0.8281 -2.75 -3.37 -2.75 -0.004 0.616 1.236 3.37 8 8 8 8 8 8 9 9 12 15 16 17 12 18 15 16 17 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 303 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07230024600000000000000000000000000000000002C0000000000000000018000001E02000020000802A19222328492081110A00020624400828020212560009A60244F980826E2C19293C4300864C011C8C8069010000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-thioxo-[(3,5,6-trichloro-2-pyridyl)oxy]-lambda5-phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]phosphorane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-&lambda;<SUP>5</SUP>-phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-lambda5-phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-sulfanylidene-[3,5,6-tris(chloranyl)pyridin-2-yl]oxy-lambda5-phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-thioxo-[(3,5,6-trichloro-2-pyridyl)oxy]phosphorane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 SBPBAQFWLVIOKP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.926284 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H11Cl3NO3PS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 350.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 72.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 348.926284 18 0 0 0 0 0 0 0 1 -1