347877 <common-name>3-[6-methoxy-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid</common-name> <description>3-[6-methoxy-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid has the chemical formula C28H27N2O3S2+. With an average molecular weight of 503.70 g/mol, 3-[6-methoxy-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>174002</pubchem-id> <chemical-formula>C28H27N2O3S2+</chemical-formula> <weight>503.7</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">2026-08-31T11:43:17Z</created-at> <updated-at type="dateTime">2026-08-31T11:43:17Z</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>CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)C=C4N(C5=C(S4)C=C(C=C5)OC)CCC(=O)O</moldb-smiles> <moldb-formula>C28H27N2O3S2+</moldb-formula> <moldb-inchi>InChI=1S/C28H26N2O3S2/c1-4-18(15-25-29(2)28-21-8-6-5-7-19(21)9-12-23(28)34-25)16-26-30(14-13-27(31)32)22-11-10-20(33-3)17-24(22)35-26/h5-12,15-17H,4,13-14H2,1-3H3/p+1</moldb-inchi> <moldb-inchikey>VCPPTPGOJICOGB-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">503.1463101</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.4</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>CHEM343770</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>3-[6-methoxy-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoic 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>Naphthothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0298213</sync-id> <structure-inchikey>VCPPTPGOJICOGB-UHFFFAOYSA-O</structure-inchikey> 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