1.0 2010-04-08 22:11:23 UTC 2019-11-26 03:10:32 UTC FDB014652 Hexathiepane Minor constituent of Lentinus edodes (shiitake). Hexathiepane is found in mushrooms. 1,2,3,4,5,6-Hexathiacycloheptane CH2S6 206.417 205.848074204 1,2,3,4,5,6-hexathiepane 1,2,3,4,5,6-hexathiepane 17233-71-5 C1SSSSSS1 InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2 JMYWPEQXUQGQNF-UHFFFAOYSA-N belongs to the class of organic compounds known as organoheterocyclic compounds. Organoheterocyclic compounds are compounds containing a ring with least one carbon atom and one non-carbon atom. Organoheterocyclic compounds Organic compounds Organoheterocyclic compounds Aliphatic heteromonocyclic compounds Hydrocarbon derivatives Aliphatic heteromonocyclic compound Hydrocarbon derivative Organoheterocyclic compound logp 0.86 ALOGPS logs -2.55 ALOGPS solubility 5.78e-01 g/l ALOGPS melting_point Mp 90° logp 3.18 ChemAxon pka_strongest_acidic 1.8 ChemAxon iupac 1,2,3,4,5,6-hexathiepane ChemAxon average_mass 206.417 ChemAxon mono_mass 205.848074204 ChemAxon smiles C1SSSSSS1 ChemAxon formula CH2S6 ChemAxon inchi InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2 ChemAxon inchikey JMYWPEQXUQGQNF-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 43.2 ChemAxon polarizability 17.29 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7020 Specdb::MsIr 7021 Specdb::CMs 23797 Specdb::CMs 135650 Specdb::CMs 143384 Specdb::MsMs 77118 Specdb::MsMs 77119 Specdb::MsMs 77120 Specdb::MsMs 137154 Specdb::MsMs 137155 Specdb::MsMs 137156 Specdb::MsMs 2762071 Specdb::MsMs 2762072 Specdb::MsMs 2762073 Specdb::MsMs 2947629 Specdb::MsMs 2947630 Specdb::MsMs 2947631 HMDB35871 #<Reference:0x000055ce31d904e0> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322