336613 <common-name>2-[4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-2-methylpropanoic acid</common-name> <description>2-[4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-2-methylpropanoic acid is a chemical compound with the formula C23H28O6S2. It has an average molecular weight of 464.60 g/mol.</description> <cas>99661-85-5</cas> <pubchem-id>3063020</pubchem-id> <chemical-formula>C23H28O6S2</chemical-formula> <weight>464.6</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">2026-08-30T19:08:38Z</created-at> <updated-at type="dateTime">2026-08-30T19:08:38Z</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>CC(C)(C(=O)O)OC1=CC=C(C=C1)SC(C)(C)SC2=CC=C(C=C2)OC(C)(C)C(=O)O</moldb-smiles> <moldb-formula>C23H28O6S2</moldb-formula> <moldb-inchi>InChI=1S/C23H28O6S2/c1-21(2,19(24)25)28-15-7-11-17(12-8-15)30-23(5,6)31-18-13-9-16(10-14-18)29-22(3,4)20(26)27/h7-14H,1-6H3,(H,24,25)(H,26,27)</moldb-inchi> <moldb-inchikey>DVHZVQFRSIFTPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">464.132731</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM332506</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-[4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-2-methylpropanoic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenoxyacetic acid derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287074</sync-id> <structure-inchikey>DVHZVQFRSIFTPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2800000000000000000000000000000000000000000000000004200200000000000004800000000000000000000000000000000000000800000000000000000000000020000000000100000200000000000020000000011000000000000000000000000000000000000000010000000000000000000040000000000000000000000000000000000001000000000003000000040000000000000000000000080000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000004000000000040000000000400000000000000400000000000000040</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�B�������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:58Z</structure-indexed-at> </compound>