316601 <common-name>2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone</common-name> <description>2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone is a chemical compound with the formula C19H18N2O3S3. It has an average molecular weight of 418.60 g/mol.</description> <cas>618432-02-3</cas> <pubchem-id>4644584</pubchem-id> <chemical-formula>C19H18N2O3S3</chemical-formula> <weight>418.6</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">2026-08-29T14:24:17Z</created-at> <updated-at type="dateTime">2026-08-29T14:24:17Z</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>COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3</moldb-smiles> <moldb-formula>C19H18N2O3S3</moldb-formula> <moldb-inchi>InChI=1S/C19H18N2O3S3/c1-23-14-8-9-17(24-2)15(10-14)16(22)12-26-19-21-20-18(27-19)25-11-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3</moldb-inchi> <moldb-inchikey>SGHMANLVQYSGGR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">418.047956</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM312494</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-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267435</sync-id> <structure-inchikey>SGHMANLVQYSGGR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>801200000800000000002000000000000000001000400000000000000000204004000000002004000000000000000001000000000000000000000000000000000000000100000020000010000100000200000000002000041004010000000040000000100002000000000000000000000000010100000000000040200000800000000000000000080000000100000000000000020000000000000000000000000000080000000200000000000000000000000000000080000001000000000000000000000000000000040000000000000220000000000000000000000000000040000000000400000000010028000100000000000000</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���h���h��� � �� �(� ��� � ����h���h���h���h������������h���h���h���h���h���h���h���h�B����������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:39Z</structure-indexed-at> </compound>