99164 <common-name>Ethyl 5-thioxo-L-prolinate</common-name> <description>Ethyl 5-thioxo-L-prolinate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C7H11NO2S and an average molecular weight of 173.23 g/mol. It is further classified under the superclass of organic acids and derivatives.</description> <cas>80442-95-1</cas> <pubchem-id>11355773</pubchem-id> <chemical-formula>C7H11NO2S</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T06:41:41Z</created-at> <updated-at type="dateTime">2026-04-05T06:41:41Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[H][C@]1(CCC(S)=N1)C(=O)OCC</moldb-smiles> <moldb-formula>C7H11NO2S</moldb-formula> <moldb-inchi>InChI=1/C7H11NO2S/c1-2-10-7(9)5-3-4-6(11)8-5/h5H,2-4H2,1H3,(H,8,11)</moldb-inchi> <moldb-inchikey>MKXRCPKGURCHRF-YFKPBYRVSA-N</moldb-inchikey> <moldb-average-mass type="decimal">173.23</moldb-average-mass> <moldb-mono-mass type="decimal">173.0510496</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM095057</chemdb-id> <dsstox-id>DTXSID301001242</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061914</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115017</sync-id> <structure-inchikey>MKXRCPKGURCHRF-YFKPBYRVSA-N</structure-inchikey> <structure-fingerprint>800000200000000010004000000000020000040000000000000002000000000000000000002000000000000000000000000000000000000002000000000080000000000000000020000004000100000000000000008000000000010000000000000000000000000000020000000000000000000000108000000040000000000000000000000000000000000000000000020000000000000000000004800000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000200000200000000001000000000000008000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>2081020e4008000000000820000000000000040000002020c00000000c4028209000804000000001000080000004200080008c00010400443000a0000084110000001100004080102000620100000000004001003200000420000009000c2000000040020020009000d0300000200080100905e004113800200010000200440008044000400c000200880800081004000244401100000408000000d004404300000000400000000900002c201042c0420000010800088000100000020000000804044000000080830000410000000000000000402000000004280001000000080000000004004000000000200000000010004800280040000050400002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBiA0AAAAAQEEBgBgAAAA AgIGAGAAAAACAgYAKAAAAAMEEABgAAAAAQEHACgAAAADAwYAKAAAAAMECAAo AAAAAwIIACgAAAADAgYAYAAAAAICBgBgAAAAAQMLAAEAAQIAAgMAAwQAAwUI AgAGAAYHKAIGCCAICQAJCgAFAABCAQAAAAUAAQIDBRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:36Z</structure-indexed-at> </compound>