1.0 2010-04-08 22:07:56 UTC 2025-11-18 23:07:03 UTC FDB008120 2-Mercaptopropanoic acid Flavouring ingredient α-mercaptopropanoic acid α-mercaptopropionic acid 2-Mercapto-propanoic acid 2-Mercapto-propionic acid 2-Mercaptopropionic acid 2-Sulfanylpropanoic acid 2-Thiolactic acid 2-Thiolpropionic acid alpha -Mercaptopropanoic acid alpha -Mercaptopropionic acid Alpha-mercaptopropanoic acid Alpha-mercaptopropionic acid FEMA 3180 Propanoic acid, 2-mercapto- Propionic acid, 2-mercapto- Thiolactic acid Thiolactic acid [UN2936] [Poison] C3H6O2S 106.144 106.008850126 2-sulfanylpropanoic acid thiolactic acid 79-42-5 CC(S)C(O)=O InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5) PMNLUUOXGOOLSP-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-mercaptocarboxylic acids. These are carboxylic acids that bear a thiol group at the C-2 position. Alpha-mercaptocarboxylic acids have the general formula RC(S)C(=O)O, where R = H, organyl group. alpha-Mercaptocarboxylic acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids Aliphatic acyclic compounds Alkylthiols Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides 2-mercaptocarboxylic acid Aliphatic acyclic compound Alkylthiol Carbonyl group Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound mercaptopropanoic acid Liquid logp 0.62 ALOGPS logs -0.81 ALOGPS solubility 1.65e+01 g/l ALOGPS melting_point 12 oC logp 0.57 ChemAxon pka_strongest_acidic 4.35 ChemAxon iupac 2-sulfanylpropanoic acid ChemAxon average_mass 106.144 ChemAxon mono_mass 106.008850126 ChemAxon smiles CC(S)C(O)=O ChemAxon formula C3H6O2S ChemAxon inchi InChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5) ChemAxon inchikey PMNLUUOXGOOLSP-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 24.97 ChemAxon polarizability 10.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11472 Specdb::CMs 42517 Specdb::CMs 159659 Specdb::MsIr 4574 Specdb::MsIr 4575 Specdb::MsIr 4576 Specdb::MsMs 6689 Specdb::MsMs 6690 Specdb::MsMs 6691 Specdb::MsMs 13361 Specdb::MsMs 13362 Specdb::MsMs 13363 Specdb::MsMs 2464908 Specdb::MsMs 2464909 Specdb::MsMs 2464910 Specdb::MsMs 2501324 Specdb::MsMs 2501325 Specdb::MsMs 2501326 Specdb::NmrOneD 19062 Specdb::NmrOneD 19063 Specdb::NmrOneD 19064 Specdb::NmrOneD 19065 Specdb::NmrOneD 19066 Specdb::NmrOneD 19067 Specdb::NmrOneD 19068 Specdb::NmrOneD 19069 Specdb::NmrOneD 19070 Specdb::NmrOneD 19071 Specdb::NmrOneD 19072 Specdb::NmrOneD 19073 Specdb::NmrOneD 19074 Specdb::NmrOneD 19075 Specdb::NmrOneD 19076 Specdb::NmrOneD 19077 Specdb::NmrOneD 19078 Specdb::NmrOneD 19079 Specdb::NmrOneD 19080 Specdb::NmrOneD 19081 HMDB31520 47872 #<Reference:0x000055ce30765d28> meaty roasted sulfurous