45314 <common-name>tetrakis({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl})diphosphathiane-2,4-dithione</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>110198</pubchem-id> <chemical-formula>C40H60P2S5</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T11:52:50Z</created-at> <updated-at type="dateTime">2026-03-27T00:35:07Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=C(CC2CC1C2(C)C)SP(=S)(SP(=S)(SC1=C(C)C2CC(C1)C2(C)C)C1=C(C)C2CC(C1)C2(C)C)C1=C(C)C2CC(C1)C2(C)C</moldb-smiles> <moldb-formula>C40H60P2S5</moldb-formula> <moldb-inchi>InChI=1S/C40H60P2S5/c1-21-29-13-25(37(29,5)6)17-33(21)41(43,45-35-19-27-15-31(23(35)3)39(27,9)10)47-42(44,34-18-26-14-30(22(34)2)38(26,7)8)46-36-20-28-16-32(24(36)4)40(28,11)12/h25-32H,13-20H2,1-12H3</moldb-inchi> <moldb-inchikey>ZZMOHCWFHCHISQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">763.17</moldb-average-mass> <moldb-mono-mass type="decimal">762.277381798</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>98947</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM044209</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00005311</stoff-ident-id> <susdat-id>NS00006096</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>227.5875999999999</moldb-refractivity> <moldb-polarizability>87.01011623582292</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>8</moldb-number-of-rings> <moldb-alogps-logp>7.78</moldb-alogps-logp> <moldb-alogps-logs>-6.96</moldb-alogps-logs> <moldb-alogps-solubility>8.42e-05 g/l</moldb-alogps-solubility> </compound>