1.0 2010-04-08 22:14:05 UTC 2019-11-26 03:17:00 UTC FDB019026 1,2,4,5,7-Pentathiocane Constituent of the seeds of petai (Parkia speciosa) and the shiitake mushroom (Lentinus edodes). 1,2,4,5,7-Pentathiocane is found in mushrooms, pulses, and green vegetables. 1,2,4,5,7-Pentathiacyclooctane 1,2,4,5,7-Pentathiaoctane C3H6S5 202.405 201.907303642 1,2,4,5,7-pentathiocane 1,2,4,5,7-pentathiocane 81531-39-7 C1SCSSCSS1 InChI=1S/C3H6S5/c1-4-2-6-8-3-7-5-1/h1-3H2 QFHGOPGLIADNQA-UHFFFAOYSA-N belongs to the class of organic compounds known as organic disulfides. These are organosulfur compounds with the general formula RSSR' (R,R' = alkyl, aryl). Organic disulfides Organic compounds Organosulfur compounds Organic disulfides Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Organoheterocyclic compounds Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Organic disulfide Organoheterocyclic compound Thioether logp 1.19 ALOGPS logs -2.66 ALOGPS solubility 4.43e-01 g/l ALOGPS melting_point Mp 102-104° logp 2.27 ChemAxon iupac 1,2,4,5,7-pentathiocane ChemAxon average_mass 202.405 ChemAxon mono_mass 201.907303642 ChemAxon smiles C1SCSSCSS1 ChemAxon formula C3H6S5 ChemAxon inchi InChI=1S/C3H6S5/c1-4-2-6-8-3-7-5-1/h1-3H2 ChemAxon inchikey QFHGOPGLIADNQA-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 52.51 ChemAxon polarizability 18.78 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10672 Specdb::CMs 161546 Specdb::MsIr 8158 Specdb::MsIr 8159 Specdb::MsMs 11777 Specdb::MsMs 11778 Specdb::MsMs 11779 Specdb::MsMs 18449 Specdb::MsMs 18450 Specdb::MsMs 18451 Specdb::MsMs 2789197 Specdb::MsMs 2789198 Specdb::MsMs 2789199 Specdb::MsMs 2919335 Specdb::MsMs 2919336 Specdb::MsMs 2919337 HMDB39431 #<Reference:0x000055ce32045c08> Common mushroom Type 1 specific Agaricus bisporus 5341 Green vegetables Unknown generic Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Pulses Unknown generic