364799 <common-name>2-cyanoethyl (1e)-n-[(2-chloroacetyl)-methylcarbamoyl]oxyethanimidothioate</common-name> <description>2-cyanoethyl (1e)-n-[(2-chloroacetyl)-methylcarbamoyl]oxyethanimidothioate is a compound with the formula C9H12ClN3O3S. It has an average molecular weight of 277.73 g/mol.</description> <cas>30411-38-2</cas> <pubchem-id>9570470</pubchem-id> <chemical-formula>C9H12ClN3O3S</chemical-formula> <weight>277.73</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">2026-09-01T15:05:57Z</created-at> <updated-at type="dateTime">2026-09-01T15:05:57Z</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>CC(=NOC(=O)N(C)C(=O)CCl)SCCC#N</moldb-smiles> <moldb-formula>C9H12ClN3O3S</moldb-formula> <moldb-inchi>InChI=1S/C9H12ClN3O3S/c1-7(17-5-3-4-11)12-16-9(15)13(2)8(14)6-10/h3,5-6H2,1-2H3/b12-7+</moldb-inchi> <moldb-inchikey>QNCDGWLSWMBFHJ-KPKJPENVSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">277.0287901</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM360692</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>2-cyanoethyl (1e)-n-[(2-chloroacetyl)-methylcarbamoyl]oxyethanimidothioate</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>Carboxylic acid derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0314769</sync-id> <structure-inchikey>QNCDGWLSWMBFHJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000800000000000000000000000008000000000040000000000000000000000000000004000100000000000000000000000001000000000000000000000000000020001020008100000404000000000000000200010000000400000000004000000000000200000000000010000000400000000040000000400004000000000000108002000000000000020000050000000000000000000000000000008000000000000000000000020000000000000000000000000000000000000000800000000010000000000000000000000000000010000000000000000000000000000440000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEAAAAIABBgBgAAAAAQMGACgAAAAD BAcAKAAAAAMDCAAoAAAAAwIGACgAAAADBAgAKAAAAAMCBwAoAAAAAwMGAGAA AAABAwYAKAAAAAMECAAoAAAAAwIGAGAAAAACAhEAIAAAAAEQACAAAAACBgBg AAAAAgIGAGAAAAACAgYAKAAAAAIEBwAoAAAAAgMLAAEAAQIoAgIDIAMEIAQF KAIEBiAGBwAGCCAICSgCCAoACgsAAQwADA0ADQ4ADg8ADxAIA0IAAAAAFwQA AAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:05Z</structure-indexed-at> </compound>