305194 <common-name>8-chloro-5-methylsulfanyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine</common-name> <description>8-chloro-5-methylsulfanyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine belongs to the triazolodiazepines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C17H13ClN4S and an average molecular weight of 340.80 g/mol.</description> <cas>153901-44-1</cas> <pubchem-id>3073954</pubchem-id> <chemical-formula>C17H13ClN4S</chemical-formula> <weight>340.8</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">2026-08-28T22:44:39Z</created-at> <updated-at type="dateTime">2026-08-28T22:44:39Z</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>CSC1=CC2=NN=CN2C3=C(N1C4=CC=CC=C4)C=C(C=C3)Cl</moldb-smiles> <moldb-formula>C17H13ClN4S</moldb-formula> <moldb-inchi>InChI=1S/C17H13ClN4S/c1-23-17-10-16-20-19-11-21(16)14-8-7-12(18)9-15(14)22(17)13-5-3-2-4-6-13/h2-11H,1H3</moldb-inchi> <moldb-inchikey>UIMJLQLRHPCKMC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">340.0549453</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM301087</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>8-chloro-5-methylsulfanyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine</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>Triazolodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0256300</sync-id> <structure-inchikey>UIMJLQLRHPCKMC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000002000000080000000800000000002440000000000080000000000000004000000000000000000000002004200000000000000000000000000000000000000000480000000000000000000000000000000000000000000000000000000000000080000001000000100000000000800920000008000000000020000000004040000000800000010040000000080080000100000000000000080000000100000000000000000000080000000000000000000000000000000000000000000000000000000000040000000000000012000000001000000200000000000000000040000002000040000000001000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGgAAAIABBgBgAAAAAQMQACAAAAAC BgAoAAAAAwQGAGgAAAADAwEGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQGgA AAADAwEHQCgAAAADAwZAKAAAAAMEBkAoAAAAAwQHACgAAAADAwZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwERACAAAAABCwAB AAECAAIDKAIDBCAEBWgMBQZoDAYHaAwHCGgMCAkgCQpoDAoLIAsMIAwNaAwN DmgMDg9oDA8QaAwQEWgMChJoDBITaAwTFGgMFBVoDBMWAAsCIAgEaAwVCWgM EQxoDEIEAAAABwIDBAgJCgsFBQQIBwYGDQ4PEBEMBhITFBUJChcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:01Z</structure-indexed-at> </compound>