346674 <common-name>2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate</common-name> <description>2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate is a chemical compound with the formula C27H29NO12S2. With an average molecular weight of 623.70 g/mol, 2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate is a heavy molecule.</description> <cas>70367-99-6</cas> <pubchem-id>56843369</pubchem-id> <chemical-formula>C27H29NO12S2</chemical-formula> <weight>623.7</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">2026-08-31T10:11:15Z</created-at> <updated-at type="dateTime">2026-08-31T10:11:15Z</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>COC1=CC(=CC(=C1O)OC)C2(C3=CC=CC=C3S(=O)(=O)N2C(=O)OCCS(=O)(=O)C)C4=CC(=C(C(=C4)OC)O)OC</moldb-smiles> <moldb-formula>C27H29NO12S2</moldb-formula> <moldb-inchi>InChI=1S/C27H29NO12S2/c1-36-19-12-16(13-20(37-2)24(19)29)27(17-14-21(38-3)25(30)22(15-17)39-4)18-8-6-7-9-23(18)42(34,35)28(27)26(31)40-10-11-41(5,32)33/h6-9,12-15,29-30H,10-11H2,1-5H3</moldb-inchi> <moldb-inchikey>KVGCVFNITCGHPC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">623.1131177</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM342567</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-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate</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>Phenols</klass> <subklass>Methoxyphenols</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0297027</sync-id> <structure-inchikey>KVGCVFNITCGHPC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800020000000000010000000000000210000100000400000000000000000000000020000000040000000800000000000040040000000000000000008000000001000008000000020000002000900000000000000000000000000010000000040000000100000000000000100000000000002000000000002000448400000800000000000000000000008000100000000200000000000000020000000000000004000080000000000080000004800080000000000000080100000000000002000080000000000000000000000000000000200000000000000000000000000000040000000000400000008000020080000000004000000</structure-fingerprint> 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