1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019376 2,3,5,7,9-Pentathiadecane 2,2-dioxide Isolated from the shiitake mushroom (Lentinus edodes). 2,3,5,7,9-Pentathiadecane 2,2-dioxide is found in mushrooms. SE-3 C5H12O2S5 264.473 263.944083078 methanesulfonyl[({[(methyldisulfanyl)methyl]sulfanyl}methyl)sulfanyl]methane methanesulfonyl[({[(methyldisulfanyl)methyl]sulfanyl}methyl)sulfanyl]methane 156430-94-3 CSSCSCSCS(C)(=O)=O InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3 BHWJQDRVDKQMFE-UHFFFAOYSA-N belongs to the class of organic compounds known as sulfones. Sulfones are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to two carbon atoms. Sulfones Organic compounds Organosulfur compounds Sulfonyls Sulfones Aliphatic acyclic compounds Dialkyldisulfides Dialkylthioethers Dithioacetals Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aliphatic acyclic compound Dialkyldisulfide Dialkylthioether Hydrocarbon derivative Organic disulfide Organic oxide Organic oxygen compound Sulfenyl compound Sulfone Thioacetal Thioether logp 1.05 ALOGPS logs -3.06 ALOGPS solubility 2.30e-01 g/l ALOGPS melting_point Mp 80-82° (79-80.5°) logp 0.94 ChemAxon iupac methanesulfonyl[({[(methyldisulfanyl)methyl]sulfanyl}methyl)sulfanyl]methane ChemAxon average_mass 264.473 ChemAxon mono_mass 263.944083078 ChemAxon smiles CSSCSCSCS(C)(=O)=O ChemAxon formula C5H12O2S5 ChemAxon inchi InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3 ChemAxon inchikey BHWJQDRVDKQMFE-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 64.93 ChemAxon polarizability 27.79 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22092 Specdb::CMs 158660 Specdb::MsMs 93336 Specdb::MsMs 93337 Specdb::MsMs 93338 Specdb::MsMs 157080 Specdb::MsMs 157081 Specdb::MsMs 157082 Specdb::MsMs 2409469 Specdb::MsMs 2409470 Specdb::MsMs 2409471 Specdb::MsMs 2553304 Specdb::MsMs 2553305 Specdb::MsMs 2553306 HMDB39734 #<Reference:0x000055ce318117d0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322