75559 <common-name>1-(Mesitylen-2-sulfonyl)-1H-1,2,4-triazole</common-name> <description>1-(Mesitylen-2-sulfonyl)-1H-1,2,4-triazole belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C11H13N3O2S1 and an average molecular weight of 251.30 g/mol.</description> <cas>54230-59-0</cas> <pubchem-id>521491</pubchem-id> <chemical-formula>C11H13N3O2S1</chemical-formula> <weight nil="true"/> <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">2026-04-04T04:32:30Z</created-at> <updated-at type="dateTime">2026-04-04T04:32:30Z</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=CC(C)=C(C(C)=C1)S(=O)(=O)N1C=NC=N1</moldb-smiles> <moldb-formula>C11H13N3O2S1</moldb-formula> <moldb-inchi>InChI=1S/C11H13N3O2S/c1-8-4-9(2)11(10(3)5-8)17(15,16)14-7-12-6-13-14/h4-7H,1-3H3</moldb-inchi> <moldb-inchikey>XNKYPZJMRHXJJQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">251.3</moldb-average-mass> <moldb-mono-mass type="decimal">251.072847</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>454891</chemspider-id> <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>CHEM071452</chemdb-id> <dsstox-id>DTXSID60202583</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033005</susdat-id> <iupac>1-(2,4,6-Trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole</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>Benzenesulfonamides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0089692</sync-id> <structure-inchikey>XNKYPZJMRHXJJQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000000000000000000000000080000000000000000000000000000000000020000012000000000000000000000000000400000000000000800000000000000000000000030000000000000000800010000000000000000900000000000000000100000000000000900000000000000000000040000000040000000000000000000000000000000000020000000000000000000000000000000000000000000080110000000000000000000080000000000000000000000000000001000000000000000000000000000002020000000000000000000000100000000000040000000000000000000400000000000000000000000</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�B������������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:23:48Z</structure-indexed-at> </compound>