74587 <common-name>2(1H)-Quinolinethione, 1-ethyl-6-methoxy-</common-name> <description nil="true"/> <cas>4800-53-7</cas> <pubchem-id>78525</pubchem-id> <chemical-formula>C12H13N1O1S1</chemical-formula> <weight>219.3</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">2026-04-04T02:00:48Z</created-at> <updated-at type="dateTime">2026-08-18T17:26:58Z</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>CCN1C(=S)C=CC2=CC(OC)=CC=C12</moldb-smiles> <moldb-formula>C12H13N1O1S1</moldb-formula> <moldb-inchi>InChI=1S/C12H13NOS/c1-3-13-11-6-5-10(14-2)8-9(11)4-7-12(13)15/h4-8H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>XTCNECLGISWWCO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.3</moldb-average-mass> <moldb-mono-mass type="decimal">219.071785</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>70886</chemspider-id> <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>CHEM070480</chemdb-id> <dsstox-id>DTXSID5063609</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00031748</susdat-id> <iupac>1-ethyl-6-methoxyquinoline-2-thione</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>Quinolines and derivatives</klass> <subklass>Hydroquinolines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0114331</sync-id> <structure-inchikey>XTCNECLGISWWCO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200400000000c00048000000000000000000000000100000000000000000000002000000200000000000000000000000800000000000000000000000000000000000000000000000000000002000000000000100000200000000000000040000200000001040200000100000000000000100000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000080000000020000000000000000000000000000080000000000000000000000000000000020000000000040000000200000000000000000000000001000040000000000000000000000008000000000004000000</structure-fingerprint> <structure-pattern-fingerprint>401080000122024080000800010820000000040001052000003520430200018c4002201002c000000000010802800000042000a0408c30010022443000a8400084130c00064006001090101000632214000101905000103240000422902041000c280406004082010040040054100001200680300101c00411192c2802510012004800084c500208080002000a080008311c0012440014030000080020c000a240c310001000420002000940013c291002c80000894108481080430008c0421000000004040002130180000004014280042000000200500005000200088001001010001000080200020004124101202000100010804000024000000070000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@(�������(������@h�������@h�������@(������@h�������@(�������(�������`������@h�������@h�������@(��������������h���(���h���h���h���h�� h� �� �h�� h� �h���h���h�B������������� � ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:02Z</structure-indexed-at> </compound>