280394 <common-name>Ethyl 2-cyano-3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate</common-name> <description>Ethyl 2-cyano-3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate belongs to the pyridines and derivatives, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C11H11N3O2S and an average molecular weight of 249.29 g/mol.</description> <cas>59649-38-6</cas> <pubchem-id>3551917</pubchem-id> <chemical-formula>C11H11N3O2S</chemical-formula> <weight>249.29</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">2026-08-26T20:24:46Z</created-at> <updated-at type="dateTime">2026-08-26T20:24:46Z</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(C#N)C(=S)NC1=CC=CC=N1</moldb-smiles> <moldb-formula>C11H11N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C11H11N3O2S/c1-2-16-11(15)8(7-12)10(17)14-9-5-3-4-6-13-9/h3-6,8H,2H2,1H3,(H,13,14,17)</moldb-inchi> <moldb-inchikey>QKQNKXIZVDRTQF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">249.0571978</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM276287</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-cyano-3-(pyridin-2-ylamino)-3-sulfanylidenepropanoate</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>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0232421</sync-id> <structure-inchikey>QKQNKXIZVDRTQF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000000000080004002000000001000000000000000000000000000000000000200001000000000000000200000000400000000800000020000000000000000000000000000000000000000002000002000010000000000000000000040020001000000000000000000000000000000000000000000020040000000000000004000000080100000000000009000000100010000000002000000000080000000800000000000004008800000000000000008000000000000000000000000000000000000000000000100000000000000000000200000020000000000000000a000000000002040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������(�������(�������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@(�������������� ��(��������������� (�� � ��h�� h� �h���h���h���h�B��������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:41Z</structure-indexed-at> </compound>