1.02010-04-08 22:08:00 UTC2015-07-20 22:20:28 UTCFDB0082771,3-PropanedithiolFlavouring ingredient
1,3-Propanedithiol is the chemical compound with the formula HSCH2CH2CH2SH. This dithiol is a useful reagent in organic synthesis. This liquid, which is readily available commercially, has an intense stench.1,3-Dimercaptopropane1,3-PropanedimercaptanDithiotrimethyleneglycolFEMA 3588Propane-1,3-dithiolTrimethylene dimercaptanTrimethylenedithioglycolTrimethylenedithiolC3H8S2108.226108.006741636propane-1,3-dithiol1,3-propanedithiol109-80-8SCCCSInChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2ZJLMKPKYJBQJNH-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 derivativedithiolLiquidlogp1.13logs-2.12solubility8.25e-01 g/lmelting_point-79 oClogp1.35pka_strongest_acidic9.89pka_strongest_basic-9.6iupacpropane-1,3-dithiolaverage_mass108.226mono_mass108.006741636smilesSCCCSformulaC3H8S2inchiInChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2inchikeyZJLMKPKYJBQJNH-UHFFFAOYSA-Npolar_surface_area0refractivity31.48polarizability12.3rotatable_bond_count2acceptor_count0donor_count2physiological_charge0formal_charge0Specdb::CMs16777Specdb::CMs29554Specdb::CMs100901Specdb::CMs154649Specdb::MsIr4764Specdb::MsIr4765Specdb::MsIr4766Specdb::MsMs49647Specdb::MsMs49648Specdb::MsMs49649Specdb::MsMs150198Specdb::MsMs150199Specdb::MsMs150200Specdb::MsMs2272026Specdb::MsMs2272027Specdb::MsMs2272028Specdb::MsMs3069468Specdb::MsMs3069469Specdb::MsMs3069470HMDB3163244864PDT#<Reference:0x000055567568cc40>meatysulfurous