4790 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 16 16 16 15 8 8 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 2 2 3 4 4 5 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 4 9 9 10 4 5 6 7 8 11 14 15 12 16 17 18 19 13 20 21 22 23 24 25 26 27 28 29 30 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 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 5.4641 7.1962 5.0981 4.5981 3.732 4.0981 2.866 4.5981 6.3301 8.0622 2 4.0981 8.9282 3.2646 2.4675 5.073 5.073 5.9316 6.7287 7.6636 8.4607 1.69 1.4631 2.31 4.635 3.7881 3.5611 9.2382 9.4651 8.6182 -0.366 -0.366 -1.732 -0.866 -1.366 0 -0.866 0.866 -0.866 -0.866 -1.366 1.732 -0.366 -0.3911 -0.3911 0.4675 1.2646 -1.341 -1.341 -1.341 -1.341 -0.8291 -1.676 -1.903 2.042 2.269 1.422 -0.903 -0.056 0.1709 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 156 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0603002600000000000000000000000000000000000000000000000000000000000001A04000020000000A4C0028200000001180000000000000001000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(ethylsulfanylmethylsulfanyl)-thioxo-lambda5-phosphane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-[(ethylthio)methylthio]-sulfanylidenephosphorane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 diethoxy-[(ethylthio)methylthio]-thioxo-phosphorane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BULVZWIRKLYCBC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.01283030 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H17O2PS3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)SCSCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOP(=S)(OCC)SCSCC 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 2021.10.14 260.01283030 13 0 0 0 0 0 0 0 1 -1