305963 <common-name>(2e)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole</common-name> <description>(2e)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C17H15N2S2+ and an average molecular weight of 311.40 g/mol.</description> <cas nil="true"/> <pubchem-id>24835435</pubchem-id> <chemical-formula>C17H15N2S2+</chemical-formula> <weight>311.4</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">2026-08-28T23:41:02Z</created-at> <updated-at type="dateTime">2026-08-28T23:41:02Z</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>CN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)C</moldb-smiles> <moldb-formula>C17H15N2S2+</moldb-formula> <moldb-inchi>InChI=1S/C17H15N2S2/c1-18-12-7-3-5-9-14(12)20-16(18)11-17-19(2)13-8-4-6-10-15(13)21-17/h3-11H,1-2H3/q+1</moldb-inchi> <moldb-inchikey>KNAIBVNDBYPVAO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">311.0676658</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5</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>CHEM301856</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>(2e)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole</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>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0257036</sync-id> <structure-inchikey>KNAIBVNDBYPVAO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000010000002001000000000000000000000000004000000000000001000000000000040000080000000005000000000000000000000000000000000000000000000000000050000200000000000000000000000000000410000000000000000400000004000100040000000110000000000000000040000008800000000000004000000000000100000000000000000000000100000020000020020000080000000000000000000000000000000000000000000000000000000100000000010000000000000000000000000200000000000000000000000000000040000000000000000000000000000001000000000008</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���h���h���h���h���� � ��h���h�� h�B��������� ������������ ������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:38Z</structure-indexed-at> </compound>