17242 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 30 31 32 33 34 16 16 16 15 8 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 6 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 7 8 10 4 9 4 5 6 12 13 9 16 17 18 19 11 20 21 22 23 24 14 25 26 15 27 28 29 30 31 32 33 34 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 8 10 -1 3 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 27 28 29 30 31 32 33 34 8.0622 5.4641 5.0981 4.5981 3.732 4.0981 8.0622 7.1962 6.3301 8.9282 9.7942 2.866 4.5981 2 4.0981 7.5947 6.7976 5.9316 6.7287 9.3267 8.5297 9.4842 10.3312 10.1042 3.2646 2.4675 5.073 5.073 1.69 1.4631 2.31 4.635 3.7881 3.5611 -0.799 -0.299 -1.6651 -0.799 -1.299 0.067 -1.799 -0.299 -0.799 -0.299 -0.799 -0.799 0.933 -1.299 1.799 0.1759 0.1759 -1.274 -1.274 0.1759 0.1759 -1.336 -1.109 -0.2621 -0.3241 -0.3241 0.5345 1.3315 -0.7621 -1.609 -1.836 2.109 2.336 1.489 3 1 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 225 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0703002600000000000000000000000000000000000000000000000000000000000001A04000020000000A4C00282000000011A0000000000404000000000100000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(2-ethylsulfinylethylsulfanyl)-thioxo-lambda5-phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(2-ethylsulfinylethylthio)-sulfanylidenephosphorane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-lambda5-phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-lambda5-phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(2-ethylsulfinylethylthio)-thioxo-phosphorane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UPUGLJYNCXXUQV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 290.02339498 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H19O3PS3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 290.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)SCCS(=O)CC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)SCCS(=O)CC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 112 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 290.02339498 15 1 0 1 0 0 0 0 1 1