1.0 2016-06-03 13:20:03 UTC 2026-08-18 09:04:30 UTC (6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SmallMolecule (6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C11H12N4O3S3 and an average molecular weight of 344.42 g/mol. It has been found in or released from one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this substance is oral. C11H12N4O3S3 344.42 344.007153784 (7R)-7-amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (7R)-7-amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 30246-33-4 [H][C@@]1(N)C(=O)N2C(C(O)=O)=C(CSC3=NN=C(C)S3)CSC12[H] InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9?/m1/s1 HJSGHKMSDOLGJJ-VJSCVCEBSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids and derivatives 1,3-thiazines Alkylarylthioethers Amino acids Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Cephems Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Sulfenyl compounds Tertiary carboxylic acid amides Thiadiazoles Thiohemiaminal derivatives Alkylarylthioether Alpha-amino acid or derivatives Amine Amino acid Aromatic heteropolycyclic compound Aryl thioether Azacycle Azetidine Azole Beta-lactam Carbonyl group Carboxamide group Carboxylic acid Cephem Dialkylthioether Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Lactam Meta-thiazine Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfenyl compound Tertiary carboxylic acid amide Thiadiazole Thioether Aromatic heteropolycyclic compounds Detected and Not Quantified logp -3.2 logp -1.21 ALOGPS logs -2.93 ALOGPS solubility 4.09e-01 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 2.85 ChemAxon pka_strongest_basic 7.39 ChemAxon iupac (7R)-7-amino-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChemAxon average_mass 344.42 ChemAxon mono_mass 344.007153784 ChemAxon smiles [H][C@@]1(N)C(=O)N2C(C(O)=O)=C(CSC3=NN=C(C)S3)CSC12[H] ChemAxon formula C11H12N4O3S3 ChemAxon inchi InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9?/m1/s1 ChemAxon inchikey HJSGHKMSDOLGJJ-VJSCVCEBSA-N ChemAxon polar_surface_area 109.41 ChemAxon refractivity 83.44 ChemAxon polarizability 33.4 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72240da320> 34862 32083