3286 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 35 36 37 38 39 40 41 16 16 16 16 15 15 8 8 8 8 6 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 1 1 2 2 3 4 5 5 6 6 7 8 9 10 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 5 11 6 11 5 6 7 8 9 10 12 13 14 15 20 21 16 22 23 17 24 25 18 26 27 19 28 29 39 40 41 36 37 38 33 34 35 30 31 32 1 1 1 1 2 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 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 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 5.4641 7.1962 5.0981 7.5622 4.5981 8.0622 3.732 4.0981 8.9282 8.5622 6.3301 2.866 4.5981 9.7942 8.0622 2 4.0981 10.6603 8.5622 5.9316 6.7287 3.2646 2.4675 5.073 5.073 10.1928 9.3957 7.5872 7.5872 9.0991 8.8722 8.0252 10.3503 11.1972 10.9703 4.635 3.7881 3.5611 1.69 1.4631 2.31 -0.366 -0.366 -1.732 -1.732 -0.866 -0.866 -1.366 0 -1.366 0 -0.866 -0.866 0.866 -0.866 0.866 -1.366 1.732 -1.366 1.732 -1.341 -1.341 -0.3911 -0.3911 0.4675 1.2646 -0.3911 -0.3911 1.2646 0.4675 1.422 2.269 2.042 -1.903 -1.676 -0.8291 2.042 2.269 1.422 -0.8291 -1.676 -1.903 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 279 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E0703803700000000000000000000000000000000000000000000000000000000000001A04000020000000A080028200000001100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 [(diethoxyphosphinothioylthio)methylthio]-diethoxy-sulfanylidenephosphorane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 [(diethoxythiophosphorylthio)methylthio]-diethoxy-thioxo-phosphorane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 RIZMRRKBZQXFOY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 5.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 383.987616 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C9H22O4P2S4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 384.476104 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 152 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 383.987616 19 0 0 0 0 0 0 0 1 1