1.0 2010-04-08 22:14:47 UTC 2015-07-21 06:42:09 UTC FDB020073 1,8-Octanedithiol Flavouring material for soups and meat products 1,8-Dimercaptooctane 1,8-Octamethylenedithiol FEMA 3514 NanoThinks(TM) THIO8 Octamethylene dimercaptan Octane-1,8-dithiol C8H18S2 178.359 178.084991956 octane-1,8-dithiol octane-1,8-dithiol 1191-62-4 SCCCCCCCCS InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2 PGTWZHXOSWQKCY-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Liquid logp 3.63 ALOGPS logs -3.95 ALOGPS solubility 2.01e-02 g/l ALOGPS melting_point Mp 0.9° logp 3.65 ChemAxon pka_strongest_acidic 9.9 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac octane-1,8-dithiol ChemAxon average_mass 178.359 ChemAxon mono_mass 178.084991956 ChemAxon smiles SCCCCCCCCS ChemAxon formula C8H18S2 ChemAxon inchi InChI=1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2 ChemAxon inchikey PGTWZHXOSWQKCY-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 54.52 ChemAxon polarizability 22.77 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 0 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23488 Specdb::CMs 149115 Specdb::MsIr 8927 Specdb::MsIr 8928 Specdb::MsIr 8929 Specdb::MsMs 86733 Specdb::MsMs 86734 Specdb::MsMs 86735 Specdb::MsMs 149097 Specdb::MsMs 149098 Specdb::MsMs 149099 Specdb::MsMs 3044065 Specdb::MsMs 3044066 Specdb::MsMs 3044067 Specdb::MsMs 3100126 Specdb::MsMs 3100127 Specdb::MsMs 3100128 HMDB40348 #<Reference:0x000055ce322fc3c0> earthy meaty mushroom sulfurous