79303 <common-name>6-(Phenylthio)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one</common-name> <description>6-(Phenylthio)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It is an organosulfur compound with the chemical formula C9H6N2O1S3 and an average molecular weight of 254.34 g/mol.</description> <cas>78972-35-7</cas> <pubchem-id>11970652</pubchem-id> <chemical-formula>C9H6N2O1S3</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">2026-04-04T14:02:50Z</created-at> <updated-at type="dateTime">2026-04-04T14:02:50Z</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>O=C1NC(=S)SC(SC2=CC=CC=C2)=N1</moldb-smiles> <moldb-formula>C9H6N2O1S3</moldb-formula> <moldb-inchi>InChI=1S/C9H6N2OS3/c12-7-10-8(13)15-9(11-7)14-6-4-2-1-3-5-6/h1-5H,(H,10,12,13)</moldb-inchi> <moldb-inchikey>LRIJHTTZIWLUKH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">254.34</moldb-average-mass> <moldb-mono-mass type="decimal">253.964225</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>10144035</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>CHEM075196</chemdb-id> <dsstox-id>DTXSID60229472</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038017</susdat-id> <iupac>6-phenylsulfanyl-2-sulfanylidene-1,3,5-thiadiazin-4-one</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0165572</sync-id> <structure-inchikey>LRIJHTTZIWLUKH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000000040000800000000002000000000000000000000000000000000000020000000000000002004000000000000800000000000000000000000000080000000000000000000000020000010000000000000000000000000000000001000000000000000000000000000000000000000000000010000000000000002000000800000200200000000000000000100000000001000000000000000000000000000000002080000001000000000000000000000000000000000000000000000000000000000000000000000000000040000004200000000000020000000000001001040000000008000080000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAAEAAAAIABCAAoAAAAAwIGQCgAAAAD BAdAOAAAAAMBAwZAKAAAAAMEEAAoAAAAAwIQQCgAAAADAgZAKAAAAAMEEAAg AAAAAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBB0AoAAAAAwMLAAEoAgECaAwCA2gMAwQoAgMFaAwFBmgM BgcABwgACAloDAkKaAwKC2gMCwxoDAwNaAwGDmgMDgFoDA0IaAxCAgAAAAYB DgYFAwIGCQoLDA0IFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:33Z</structure-indexed-at> </compound>