360629 <common-name>Ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate</common-name> <description>Ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate is a chemical compound with the formula C6H12NO5PS. It has an average molecular weight of 241.20 g/mol.</description> <cas>52868-53-8</cas> <pubchem-id>40557</pubchem-id> <chemical-formula>C6H12NO5PS</chemical-formula> <weight>241.2</weight> <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">2026-09-01T09:08:17Z</created-at> <updated-at type="dateTime">2026-09-01T09:08:17Z</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>CCOC(=O)C(=O)NP(=O)(OC)SC</moldb-smiles> <moldb-formula>C6H12NO5PS</moldb-formula> <moldb-inchi>InChI=1S/C6H12NO5PS/c1-4-12-6(9)5(8)7-13(10,11-2)14-3/h4H2,1-3H3,(H,7,8,10)</moldb-inchi> <moldb-inchikey>KNGMWKJQTSWAIS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">241.0173807</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.2</logp> <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>CHEM356522</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>Ethyl 2-[[methoxy(methylsulfanyl)phosphoryl]amino]-2-oxoacetate</iupac> <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" nil="true"/> <sync-id>CED0310797</sync-id> <structure-inchikey>KNGMWKJQTSWAIS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>804000000800000010000000000080000000000000000000000002000000000000000000000000200000000000008000000002000001000000000000000000000040000000000020000000004102000000000000000000000000010000000040000000000000000000000000000000000000000000000000000040000000000000000000000080000000000000200000020000000000000000000000000000000000000000000000000000000000000000000000000000000000008000000040000000000000010000000000002000000000000000000000000000000000000008000000200400000000008000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADQAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAKAAAAAMECAAoAAAAAwIHAGgA AAADAgEPACAAAAAFCAAoAAAAAwIIACAAAAACBgBgAAAAAQMQACAAAAACBgBg AAAAAQMLAAEAAQIAAgMgAwQoAgMFIAUGKAIFByAHCAAICQgCCAoACgsACAwA DA0AQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:04Z</structure-indexed-at> </compound>