1.02010-04-08 22:09:44 UTC2015-07-20 22:41:50 UTCFDB011617(±)-1,3-ButanedithiolFlavouring agentC4H10S2122.252122.0223917butane-1,3-dithiolbutane-1,3-dithiolCC(S)CCSInChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3XMEPRJBZFCWFKN-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.AlkylthiolsOrganic compoundsOrganosulfur compoundsThiolsAlkylthiolsAliphatic acyclic compoundsHydrocarbon derivativesAliphatic acyclic compoundAlkylthiolHydrocarbon derivativelogp1.62logs-2.51solubility3.76e-01 g/llogp1.67pka_strongest_acidic9.84pka_strongest_basic-9.6iupacbutane-1,3-dithiolaverage_mass122.252mono_mass122.0223917smilesCC(S)CCSformulaC4H10S2inchiInChI=1S/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3inchikeyXMEPRJBZFCWFKN-UHFFFAOYSA-Npolar_surface_area0refractivity35.94polarizability13.98rotatable_bond_count2acceptor_count0donor_count2physiological_charge0formal_charge0Specdb::MsIr6142Specdb::MsIr6143Specdb::MsIr6144Specdb::CMs22966Specdb::CMs162280Specdb::MsMs96417Specdb::MsMs96418Specdb::MsMs96419Specdb::MsMs160896Specdb::MsMs160897Specdb::MsMs160898Specdb::MsMs2378371Specdb::MsMs2378372Specdb::MsMs2378373Specdb::MsMs2557497Specdb::MsMs2557498Specdb::MsMs2557499