280245 <common-name>2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid</common-name> <description>2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C11H10N4O4S and an average molecular weight of 294.29 g/mol.</description> <cas>110767-59-4</cas> <pubchem-id>60462</pubchem-id> <chemical-formula>C11H10N4O4S</chemical-formula> <weight>294.29</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">2026-08-26T20:16:26Z</created-at> <updated-at type="dateTime">2026-08-26T20:16:26Z</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>C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)O</moldb-smiles> <moldb-formula>C11H10N4O4S</moldb-formula> <moldb-inchi>InChI=1S/C11H10N4O4S/c12-15-10(13-14-11(15)20-4-9(16)17)6-1-2-7-8(3-6)19-5-18-7/h1-3H,4-5,12H2,(H,16,17)</moldb-inchi> <moldb-inchikey>TYCGEFVJGGTSAQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">294.042276</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM276138</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-amino-5-(1,3-benzodioxol-5-yl)-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>Organoheterocyclic compounds</superklass> <klass>Benzodioxoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0232280</sync-id> <structure-inchikey>TYCGEFVJGGTSAQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000008000000000000000004000004000000000000000000004000000002084000000000000400000000000000000000000000000000000000000000000000020800000000000000000002010000000000000010000002000000000100000800000020100000000000000000000000018000100000000000000000000000000881000000000000000000000000000000000000000100004000000080000000008000000400000000000000800000000000000000000000000000000010000000000000000002000400200000000000080000000000000010040000000400400000000010040000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFgAAAIABBgBgAAAAAgIIACgAAAAD AgZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgZAaAAAAAMDAQZAKAAAAAMEBkBo AAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQHQCgAAAADAwdAKAAAAAMDBkAoAAAA AwQHQCgAAAADAwcAaAAAAAMBAhAAIAAAAAIGAGAAAAACAgYAKAAAAAMECAAo AAAAAwIIAGgAAAADAQELAAEAAQIgAgNoDAMEIAMFaAwFBmgMBgdoDAcIaAwG CSAJCmgMCgtoDAsMaAwMDWgMDQ4gDA8ADxAAEBEAERIoAhETIAQAAAgCaAwN CWgMQgMAAAAFAAECAwQGBQYHCAIDBQoJDQwLFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:30Z</structure-indexed-at> </compound>