1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:03 UTC FDB014440 Dihydroasparagusic acid Isolated from asparagus Asparagus officinalis. Dihydroasparagusic acid is found in asparagus and green vegetables. 3-Mercapto-2-(mercaptomethyl)-propanoic acid 3-Mercapto-2-[mercaptomethyl]propionic acid 3-Mercapto-2-mercaptomethylpropanoate 3-mercapto-2-mercaptomethylpropanoic Acid 3-Sulfanyl-2-(sulfanylmethyl)propanoic acid b,b'-Dimercaptoisobutyric acid Dihydroasparagusic acid Propanoic acid, 3-mercapto-2-(mercaptomethyl)- C4H8O2S2 152.235 151.99657088 3-sulfanyl-2-(sulfanylmethyl)propanoic acid 3-sulfanyl-2-(sulfanylmethyl)propanoic acid 7634-96-0 OC(=O)C(CS)CS InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6) KRHAHEQEKNJCSD-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 dithiol sulfur-containing carboxylic acid logp 0.63 ALOGPS logs -1.96 ALOGPS solubility 1.68e+00 g/l ALOGPS melting_point Mp 59.5-60.5° logp 0.96 ChemAxon pka_strongest_acidic 4.56 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac 3-sulfanyl-2-(sulfanylmethyl)propanoic acid ChemAxon average_mass 152.235 ChemAxon mono_mass 151.99657088 ChemAxon smiles OC(=O)C(CS)CS ChemAxon formula C4H8O2S2 ChemAxon inchi InChI=1S/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6) ChemAxon inchikey KRHAHEQEKNJCSD-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 37.45 ChemAxon polarizability 14.95 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18049 Specdb::CMs 44520 Specdb::CMs 133044 Specdb::CMs 140778 Specdb::MsMs 51225 Specdb::MsMs 51226 Specdb::MsMs 51227 Specdb::MsMs 145497 Specdb::MsMs 145498 Specdb::MsMs 145499 Specdb::MsMs 2312327 Specdb::MsMs 2312328 Specdb::MsMs 2312329 Specdb::MsMs 2652929 Specdb::MsMs 2652930 Specdb::MsMs 2652931 Specdb::MsIr 6968 Specdb::MsIr 6969 Specdb::MsIr 6970 Specdb::NmrOneD 132378 Specdb::NmrOneD 132379 Specdb::NmrOneD 132380 Specdb::NmrOneD 132381 Specdb::NmrOneD 132382 Specdb::NmrOneD 132383 Specdb::NmrOneD 132384 Specdb::NmrOneD 132385 Specdb::NmrOneD 132386 Specdb::NmrOneD 132387 Specdb::NmrOneD 132388 Specdb::NmrOneD 132389 Specdb::NmrOneD 132390 Specdb::NmrOneD 132391 Specdb::NmrOneD 132392 Specdb::NmrOneD 132393 Specdb::NmrOneD 132394 Specdb::NmrOneD 132395 Specdb::NmrOneD 132396 Specdb::NmrOneD 132397 HMDB35716 #<Reference:0x000055ce33281a48> Asparagus Type 1 specific Asparagus officinalis 4686 Green vegetables Unknown generic