62519 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 17 17 16 16 16 15 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 6 6 7 8 9 9 10 10 11 12 12 13 14 14 15 16 16 16 17 17 17 11 13 6 10 9 10 6 7 8 16 17 11 12 18 19 14 13 20 15 15 21 22 23 24 25 26 27 28 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 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 2 5.4641 4.5981 3.732 5.9641 5.4641 6.3301 4.9641 3.732 4.5981 2.866 4.5981 4.5981 2.866 3.732 6.3301 3.9641 4.8101 5.2087 5.135 2.3291 3.732 6.9501 6.3301 5.7101 3.9641 3.3441 3.9641 -1.25 -3.25 1.25 -0.25 0.884 1.75 2.25 2.616 -1.25 0.25 -1.75 -1.75 -2.75 -2.75 -3.25 3.25 2.616 -0.3326 0.3577 -1.44 -3.06 -3.87 3.25 3.87 3.25 3.236 2.616 1.996 8 8 8 8 8 8 9 9 11 12 13 14 11 12 14 13 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 275 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 00000371C0703002660000000000000000000000000000000000300000000000000000010000001A06000020000802805022B20180000118800020420000020100200D10088818000288082022A113108020002080000888070000000000001000100000800000200020000100000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-thioxo-lambda5-phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [[(2,5-dichlorophenyl)thio]methylthio]-dimethoxy-sulfanylidenephosphorane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2,5-bis(chloranyl)phenyl]sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [[(2,5-dichlorophenyl)thio]methylthio]-dimethoxy-thioxo-phosphorane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IHCHKPCNDMQWGF-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.9035855 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H11Cl2O2PS3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 349.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 101 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 347.9035855 17 0 0 0 0 0 0 0 1 -1