1.0 2011-03-30 21:41:59 UTC 2015-07-21 06:55:47 UTC FDB021759 3-Mercaptopropanoic acid Flavouring agent [CCD] 2-Mercaptoethanecarboxylate 2-Mercaptoethanecarboxylic acid 3-Mercaptopropanoate 3-Mercaptopropanoic acid, 9CI 3-Mercaptopropionate 3-Mercaptopropionic acid 3-Thiohydracrylate 3-Thiohydracrylic acid 3-Thiolpropanoate 3-Thiolpropanoic acid 3-Thiopropanoate 3-Thiopropanoic acid 3-Thiopropionate 3-Thiopropionic acid 3MPA b-Mercaptopropionate b-Mercaptopropionic acid b-Thiopropionate b-Thiopropionic acid beta-Mercaptopropionate beta-Mercaptopropionic acid beta-Thiopropionate beta-Thiopropionic acid Thiohydracrylic acid β-mercaptopropionate β-mercaptopropionic acid β-thiopropionate β-thiopropionic acid C3H6O2S 106.144 106.008850126 3-sulfanylpropanoic acid 3-mercaptopropionic acid 107-96-0 OC(=O)CCS InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) DKIDEFUBRARXTE-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Carboxylic 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 Aliphatic acyclic compound Alkylthiol Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound mercaptopropanoic acid logp 0.34 ALOGPS logs -0.84 ALOGPS solubility 1.55e+01 g/l ALOGPS melting_point Mp 16.8° logp 0.45 ChemAxon pka_strongest_acidic 4.57 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac 3-sulfanylpropanoic acid ChemAxon average_mass 106.144 ChemAxon mono_mass 106.008850126 ChemAxon smiles OC(=O)CCS ChemAxon formula C3H6O2S ChemAxon inchi InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) ChemAxon inchikey DKIDEFUBRARXTE-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 25.07 ChemAxon polarizability 10.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 48482 Specdb::NmrOneD 48483 Specdb::NmrOneD 48484 Specdb::NmrOneD 48485 Specdb::NmrOneD 48486 Specdb::NmrOneD 48487 Specdb::NmrOneD 48488 Specdb::NmrOneD 48489 Specdb::NmrOneD 48490 Specdb::NmrOneD 48491 Specdb::NmrOneD 48492 Specdb::NmrOneD 48493 Specdb::NmrOneD 48494 Specdb::NmrOneD 48495 Specdb::NmrOneD 48496 Specdb::NmrOneD 48497 Specdb::NmrOneD 48498 Specdb::NmrOneD 48499 Specdb::NmrOneD 48500 Specdb::NmrOneD 48501 Specdb::CMs 22291 Specdb::CMs 29946 Specdb::CMs 47410 Specdb::CMs 102218 Specdb::CMs 130529 Specdb::CMs 138263 Specdb::MsIr 9330 Specdb::MsIr 9331 Specdb::MsIr 9332 Specdb::MsMs 70197 Specdb::MsMs 70198 Specdb::MsMs 70199 Specdb::MsMs 128646 Specdb::MsMs 128647 Specdb::MsMs 128648 Specdb::MsMs 2810000 Specdb::MsMs 2810001 Specdb::MsMs 2810002 Specdb::MsMs 2899692 Specdb::MsMs 2899693 Specdb::MsMs 2899694 HMDB41604 MPT #<Reference:0x00007f093c09a910> roasted sulfurous