295576 <common-name>[5-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-4h-pyridin-5-ylium-3-ylidene]methylazanide</common-name> <description>[5-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-4h-pyridin-5-ylium-3-ylidene]methylazanide belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H13N3O3S and an average molecular weight of 315.30 g/mol.</description> <cas nil="true"/> <pubchem-id>135770394</pubchem-id> <chemical-formula>C15H13N3O3S</chemical-formula> <weight>315.3</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">2026-08-28T11:35:14Z</created-at> <updated-at type="dateTime">2026-08-28T11:35:14Z</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=NC(=S)C(=C[NH-])C([C+]1C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C15H13N3O3S</moldb-formula> <moldb-inchi>InChI=1S/C15H13N3O3S/c1-8-13(9(2)19)14(12(7-16)15(22)17-8)10-4-3-5-11(6-10)18(20)21/h3-7,14H,1-2H3,(H-,16,22)</moldb-inchi> <moldb-inchikey>MQQYKDKIULXKOQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">315.0677625</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</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>CHEM291469</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>[5-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanylidene-4h-pyridin-5-ylium-3-ylidene]methylazanide</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>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0247012</sync-id> <structure-inchikey>MQQYKDKIULXKOQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000088000000000000000000000000000000000004000000000000000000000000002000000000000000000000000200000040000000000000000040000000000000000020000000020200001000000000400000000000010000000200000000300000000000010000000000000000100000500001001040000000800000000000000000000000001000000000000000200021000000000001000000000000080000000000000000000000000000000800020000000000080000002020000000000001000000000000042000000200000000000000400000080000004040000000000400000800001000000000001000001000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBgBgAAAAAQMGACgAAAAD BAcAKAAAAAMDBgAoAAAAAwQQACgAAAADAgYAKAAAAAMEBgBoAAAAAwMBByA6 AAAA/wMBAgYAYAAAAAMBBiAqAAAAAQMDBgAoAAAAAwQIACgAAAADAgYAYAAA AAEDBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA/wMBCwABAAECKAIC AyADBCgCAwUgBQYoAgYHIAUIAAgJAAkKIAoLKAIKDAAIDQANDmgMDg9oDA8Q aAwQEWgMERJoDA8TIBMUKAITFSAJASASDWgMQgIAAAAGAQkIBQMCBg4PEBES DRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:03Z</structure-indexed-at> </compound>