1.0 2010-04-08 22:05:41 UTC 2018-05-28 23:10:58 UTC FDB003177 3,3'-Thiobispropanoic acid Antioxidant used in food packaging materials. &beta;,&beta;'-Thiodipropionic acid 3,3'-Thiobis-propanoic acid 3,3'-Thiobis(propanoic acid) 3,3'-Thiodi-propionic acid 3,3'-Thiodipropanoic acid 3,3'-Thiodipropionic acid, 8CI 4-Thiaheptanedioic acid beta ,beta '-Thiodipropionic acid Bis(2-carboxyethyl) sulfide Diethyl sulfide 2,2'-dicarboxylic acid Diethyl sulfide b,b'-dicarboxylic acid Propanoic acid, 3,3'-thiobis- Propionic acid, 3,3'-thiodi- Sulfide, bis(2-carboxyethyl) Thiodihydracrylic acid Thiodipropionic acid Tyox A C6H10O4S 178.206 178.029979498 3-[(2-carboxyethyl)sulfanyl]propanoic acid propanoic acid, 3,3'-thiobis- 111-17-1 OC(=O)CCSCCC(O)=O InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10) ODJQKYXPKWQWNK-UHFFFAOYSA-N belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dicarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Dialkylthioethers Fatty acids and conjugates Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aliphatic acyclic compound Carbonyl group Carboxylic acid Dialkylthioether Dicarboxylic acid or derivatives Fatty acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thioether logp 0.19 ALOGPS logs -1.39 ALOGPS solubility 7.20e+00 g/l ALOGPS melting_point Mp 134° (129-130°) logp 0.45 ChemAxon pka_strongest_acidic 3.86 ChemAxon iupac 3-[(2-carboxyethyl)sulfanyl]propanoic acid ChemAxon average_mass 178.206 ChemAxon mono_mass 178.029979498 ChemAxon smiles OC(=O)CCSCCC(O)=O ChemAxon formula C6H10O4S ChemAxon inchi InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10) ChemAxon inchikey ODJQKYXPKWQWNK-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 40.56 ChemAxon polarizability 17.46 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21649 Specdb::CMs 42374 Specdb::CMs 161379 Specdb::MsIr 4120 Specdb::MsIr 4121 Specdb::MsIr 4122 Specdb::MsMs 67911 Specdb::MsMs 67912 Specdb::MsMs 67913 Specdb::MsMs 125823 Specdb::MsMs 125824 Specdb::MsMs 125825 Specdb::MsMs 2244909 Specdb::MsMs 2245190 Specdb::MsMs 2246983 Specdb::MsMs 2247323 Specdb::MsMs 2251024 Specdb::MsMs 2443537 Specdb::MsMs 2443538 Specdb::MsMs 2443539 Specdb::MsMs 2521639 Specdb::MsMs 2521640 Specdb::MsMs 2521641 Specdb::NmrOneD 162609 Specdb::NmrOneD 162610 Specdb::NmrOneD 162611 Specdb::NmrOneD 162612 Specdb::NmrOneD 162613 Specdb::NmrOneD 162614 Specdb::NmrOneD 162615 Specdb::NmrOneD 162616 Specdb::NmrOneD 162617 Specdb::NmrOneD 162618 Specdb::NmrOneD 162619 Specdb::NmrOneD 162620 Specdb::NmrOneD 162621 Specdb::NmrOneD 162622 Specdb::NmrOneD 162623 Specdb::NmrOneD 162624 Specdb::NmrOneD 162625 Specdb::NmrOneD 162626 Specdb::NmrOneD 162627 Specdb::NmrOneD 162628 HMDB31162 #<Reference:0x00007f093c06ac60>