283517 <common-name>2-[[4-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid</common-name> <description>2-[[4-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the formula C12H12N4O3S and an average molecular weight of 292.32 g/mol. This compound is further classified as an organosulfur compound.</description> <cas>540775-20-0</cas> <pubchem-id>135558976</pubchem-id> <chemical-formula>C12H12N4O3S</chemical-formula> <weight>292.32</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">2026-08-27T19:05:03Z</created-at> <updated-at type="dateTime">2026-08-27T19:05:03Z</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>CC1=NN=C(N1N=CC2=CC=C(C=C2)O)SCC(=O)O</moldb-smiles> <moldb-formula>C12H12N4O3S</moldb-formula> <moldb-inchi>InChI=1S/C12H12N4O3S/c1-8-14-15-12(20-7-11(18)19)16(8)13-6-9-2-4-10(17)5-3-9/h2-6,17H,7H2,1H3,(H,18,19)/b13-6+</moldb-inchi> <moldb-inchikey>MCFAKNDERAPPTQ-AWNIVKPZSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">292.0630114</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</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>CHEM279410</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-[(e)-(4-hydroxyphenyl)methylideneamino]-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic 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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235425</sync-id> <structure-inchikey>MCFAKNDERAPPTQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000008000000008000000000000000000000000000000000000020000000000000080042000000020840000000000000000000000000000000000000000000004000000000000000000200000000002000000040000500000000000001100000020000000800000000000040001000000000000000000000800000000c0000000000000000000000000080000000000000000000000020000000000004000000000000000080000000008000000400000000000000000000000000000000000002000000000000000000000000000002000400200000020000002000000000000000040000000000400000000010000000000000000004000</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�B����������� �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:03Z</structure-indexed-at> </compound>