1.0 2010-04-08 22:08:00 UTC 2015-07-20 22:20:28 UTC FDB008277 1,3-Propanedithiol Flavouring 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-Dimercaptopropane 1,3-Propanedimercaptan Dithiotrimethyleneglycol FEMA 3588 Propane-1,3-dithiol Trimethylene dimercaptan Trimethylenedithioglycol Trimethylenedithiol C3H8S2 108.226 108.006741636 propane-1,3-dithiol 1,3-propanedithiol 109-80-8 SCCCS InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2 ZJLMKPKYJBQJNH-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 dithiol Liquid logp 1.13 ALOGPS logs -2.12 ALOGPS solubility 8.25e-01 g/l ALOGPS melting_point -79 oC logp 1.35 ChemAxon pka_strongest_acidic 9.89 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac propane-1,3-dithiol ChemAxon average_mass 108.226 ChemAxon mono_mass 108.006741636 ChemAxon smiles SCCCS ChemAxon formula C3H8S2 ChemAxon inchi InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2 ChemAxon inchikey ZJLMKPKYJBQJNH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 31.48 ChemAxon polarizability 12.3 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16777 Specdb::CMs 29554 Specdb::CMs 100901 Specdb::CMs 154649 Specdb::MsIr 4764 Specdb::MsIr 4765 Specdb::MsIr 4766 Specdb::MsMs 49647 Specdb::MsMs 49648 Specdb::MsMs 49649 Specdb::MsMs 150198 Specdb::MsMs 150199 Specdb::MsMs 150200 Specdb::MsMs 2272026 Specdb::MsMs 2272027 Specdb::MsMs 2272028 Specdb::MsMs 3069468 Specdb::MsMs 3069469 Specdb::MsMs 3069470 HMDB31632 44864 PDT #<Reference:0x000055ce31a66a30> meaty sulfurous