288857 <common-name>Methyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate</common-name> <description>Methyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C13H19N3O2S and an average molecular weight of 281.38 g/mol.</description> <cas>96804-63-6</cas> <pubchem-id>13670201</pubchem-id> <chemical-formula>C13H19N3O2S</chemical-formula> <weight>281.38</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">2026-08-28T02:03:56Z</created-at> <updated-at type="dateTime">2026-08-28T02:03:56Z</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>CN(C)N(CCC(=O)OC)C(=S)NC1=CC=CC=C1</moldb-smiles> <moldb-formula>C13H19N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C13H19N3O2S/c1-15(2)16(10-9-12(17)18-3)13(19)14-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,19)</moldb-inchi> <moldb-inchikey>FLZQMHSVHGKKMF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">281.119798</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM284750</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>Methyl 3-[dimethylamino(phenylcarbamothioyl)amino]propanoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0240571</sync-id> <structure-inchikey>FLZQMHSVHGKKMF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20800000000000000800040020000000000000000000110000000000000000000000004000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000101000000000000000000000000010000000040000000004000000000000000000000000000010000000000000040000400800000000000000080100001000100000000000000000000000000000000000000000000082000000000000040000000000000000000000000000008000000000000000000000000200000200000000000000200000000000000008000000000000040800000000400000001000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAEwAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMHACgAAAADAwYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAA AAMCCAAoAAAAAwIGAGAAAAABAwYAKAAAAAMEEAAoAAAAAwIHAGgAAAADAgEG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZA aAAAAAMDAQsAAQABAgABAwADBAAEBQAFBgAGBygCBgggCAkAAwogCgsoAgoM IAwNIA0OaAwOD2gMDxBoDBARaAwREmgMEg1oDEIBAAAABg0SERAPDhcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:56Z</structure-indexed-at> </compound>