119797 <common-name>Benzo(b)naphtho(2,1-d)thiophene, 3-methyl-</common-name> <description>Benzo(b)naphtho(2,1-d)thiophene, 3-methyl- belongs to the naphthothiophenes, a subclass of naphthalenes within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C17H12S and an average molecular weight of 248.34 g/mol.</description> <cas>4567-45-7</cas> <pubchem-id>165249</pubchem-id> <chemical-formula>C17H12S</chemical-formula> <weight>248.3</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">2026-04-06T02:52:27Z</created-at> <updated-at type="dateTime">2026-04-17T17:16:08Z</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=CC2=C(C=C1)C1=C(C=C2)C2=CC=CC=C2S1</moldb-smiles> <moldb-formula>C17H12S</moldb-formula> <moldb-inchi>InChI=1S/C17H12S/c1-11-6-8-13-12(10-11)7-9-15-14-4-2-3-5-16(14)18-17(13)15/h2-10H,1H3</moldb-inchi> <moldb-inchikey>JESYLDJZJBANHW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.34</moldb-average-mass> <moldb-mono-mass type="decimal">248.0659714</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM115690</chemdb-id> <dsstox-id>DTXSID50196583</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00095899</susdat-id> <iupac>3-Methylbenzo[b]naphtho[2,1-d]thiophene</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>Naphthalenes</klass> <subklass>Naphthothiophenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0187564</sync-id> <structure-inchikey>JESYLDJZJBANHW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000100000002000000000100000001000000000000000000000000000000000000000000000000000000004000000000000000000000000000000100000000000000000000010000000000000000000000000000000000000000800000000100400000000200000000000000000000004000000000040000000800000000000000000000000000100000000000000000000000000000000000000040000080000000100000080000000000000000000000000000000040000000000000000000000000000000000002004008200000000000000000100000001000040000000000000000000000000000000000000800000</structure-fingerprint> <structure-pattern-fingerprint>501200000502824080404a44010830080000940201052080003562408204000c4c220010128000000040410800c0000005200024408d360100a6643000a04114c6110c081290140000901040006a0200080405c1d501133242040522802050000ca804070048228020008400c4140008200680108103d0041108282002510012004400094cd8820808060242882c0208391d88124400148204200c0028c0008440a110000112d00a02020948037c25100ac00000a941084858a0421008c002120000008444200013018080001411028004010000020450240d0022140a0003001110201001010000000004015112a000081002309052000e0010102050018a00</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAFQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBBBAKAAA AAMCCwABAAECaAwCA2gMAwRoDAQFaAwFBmgMBAdoDAcIaAwICWgMCQpoDAgL aAwLDGgMDA1oDA0OaAwOD2gMDxBoDBARaAwGAWgMEQdoDAoDaAwQC2gMQgQA AAAGAQYFBAMCBgkKAwQHCAYMDQ4PEAsFERALCAcXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:28Z</structure-indexed-at> </compound>