1.0 2020-03-10 17:02:08 UTC 2020-04-22 18:56:25 UTC BMDB0096157 BMDB96157 Thiodiacetic acid (Carboxymethylthio)acetic acid 2,2'-Thiobisacetic acid 2,2'-Thiodiethanoic acid Dicarboxymethyl sulfide Thiodi(acetic acid) (Carboxymethylthio)acetate 2,2'-Thiobisacetate 2,2'-Thiodiethanoate Dicarboxymethyl sulphide Thiodi(acetate) Thiodiacetate 2,2'-Thiodiacetic acid 2,2'-Thiodiglycolic acid alpha,Alpha'-dicarboxylic acid Mercaptodiacetic acid TDGA Thiodiglycolic acid Thiodiglycollic acid Usaf CB-36 Usaf e-2 C4H6O4S 150.153 149.99867937 2-[(carboxymethyl)sulfanyl]acetic acid thiodiglycolic acid 123-93-3 OC(=O)CSCC(O)=O InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) UVZICZIVKIMRNE-UHFFFAOYSA-N belongs to the class of organic compounds known as thiodiacetic acid derivatives. Thiodiacetic acid derivatives are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Thiodiacetic acid derivatives Carbonyl compounds Carboxylic acids Dialkylthioethers Fatty acids and conjugates Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aliphatic acyclic compound Carbonyl group Carboxylic acid Dialkylthioether Fatty acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Sulfenyl compound Thiodiacetic_acid Thioether Aliphatic acyclic compounds dicarboxylic acid logp -0.24 ALOGPS logs -0.61 ALOGPS logp -0.44 ChemAxon pka_strongest_acidic 3.38 ChemAxon iupac 2-[(carboxymethyl)sulfanyl]acetic acid ChemAxon average_mass 150.153 ChemAxon mono_mass 149.99867937 ChemAxon smiles OC(=O)CSCC(O)=O ChemAxon formula C4H6O4S ChemAxon inchi InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) ChemAxon inchikey UVZICZIVKIMRNE-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 31.36 ChemAxon polarizability 13.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 84177 Specdb::MsMs 84178 Specdb::MsMs 84179 Specdb::MsMs 145953 Specdb::MsMs 145954 Specdb::MsMs 145955 Specdb::MsMs 2295600 Specdb::MsMs 2295601 Specdb::MsMs 2295602 Specdb::MsMs 2642709 Specdb::MsMs 2642710 Specdb::MsMs 2642711 Specdb::CMs 25026 Specdb::CMs 47658 Specdb::CMs 137800 Specdb::CMs 145534 Specdb::MsIr 9487 Specdb::MsIr 9488 Specdb::MsIr 9489 Specdb::NmrOneD 51102 Specdb::NmrOneD 51103 Specdb::NmrOneD 51104 Specdb::NmrOneD 51105 Specdb::NmrOneD 51106 Specdb::NmrOneD 51107 Specdb::NmrOneD 51108 Specdb::NmrOneD 51109 Specdb::NmrOneD 51110 Specdb::NmrOneD 51111 Specdb::NmrOneD 51112 Specdb::NmrOneD 51113 Specdb::NmrOneD 51114 Specdb::NmrOneD 51115 Specdb::NmrOneD 51116 Specdb::NmrOneD 51117 Specdb::NmrOneD 51118 Specdb::NmrOneD 51119 Specdb::NmrOneD 51120 Specdb::NmrOneD 51121 29017 35012 31277 FDB111690 C14872