301700 <common-name>6-[(5e)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid</common-name> <description>6-[(5e)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound has the formula C16H17NO3S2 and an average molecular weight of 335.40 g/mol. It is further classified within the superclass of lipids and lipid-like molecules.</description> <cas>15164-04-2</cas> <pubchem-id>1640460</pubchem-id> <chemical-formula>C16H17NO3S2</chemical-formula> <weight>335.4</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">2026-08-28T18:46:00Z</created-at> <updated-at type="dateTime">2026-08-28T18:46:00Z</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>C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O</moldb-smiles> <moldb-formula>C16H17NO3S2</moldb-formula> <moldb-inchi>InChI=1S/C16H17NO3S2/c18-14(19)9-5-2-6-10-17-15(20)13(22-16(17)21)11-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19)/b13-11+</moldb-inchi> <moldb-inchikey>RBQYTRMRAMKNBT-ACCUITESSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">335.0649858</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM297593</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>6-[(5e)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252934</sync-id> <structure-inchikey>RBQYTRMRAMKNBT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800040000000000000000000000000000100000000000000404000000020000000000000000004000000000000000000000000000000000000000000000000080000000000000020000010000200000000000000000000000000010000000000000100010004000000000100100000000000000000001000000000000000800002000000014000000000000100000000000000001000010000000000000000400000080000000000000020000002000000000000000000000008000000000000000000000000000000000000040000400200000400000000000000000000000040000000810400000000000010000000000000004008</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� ��B�������������� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:19Z</structure-indexed-at> </compound>