313530 <common-name>N'-[[2-(3-fluorophenyl)sulfanylphenyl]methyl]-n,n,n'-trimethylethane-1,2-diamine</common-name> <description>N'-[[2-(3-fluorophenyl)sulfanylphenyl]methyl]-n,n,n'-trimethylethane-1,2-diamine is a chemical compound with the formula C18H23FN2S. It has an average molecular weight of 318.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3071795</pubchem-id> <chemical-formula>C18H23FN2S</chemical-formula> <weight>318.5</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">2026-08-29T10:22:07Z</created-at> <updated-at type="dateTime">2026-08-29T10:22:07Z</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>CN(C)CCN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)F</moldb-smiles> <moldb-formula>C18H23FN2S</moldb-formula> <moldb-inchi>InChI=1S/C18H23FN2S/c1-20(2)11-12-21(3)14-15-7-4-5-10-18(15)22-17-9-6-8-16(19)13-17/h4-10,13H,11-12,14H2,1-3H3</moldb-inchi> <moldb-inchikey>BYUFZNNTOYWDPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">318.1565981</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM309423</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>N'-[[2-(3-fluorophenyl)sulfanylphenyl]methyl]-n,n,n'-trimethylethane-1,2-diamine</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" nil="true"/> <sync-id>CED0264436</sync-id> <structure-inchikey>BYUFZNNTOYWDPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000800000000800000000840000000000000000020000000000000000000000000000000000004000000000000000000000000000000010000000000080000000000000000000000008000000000410000000000000000000000000081000000000000000104400000000000000000000000000000080004001000040000000880000000000000000100000000100000000080000000000000000000000000004000000080000000000000000800000000100000000000000000000000000040000000000000000122000000000000000000200000000000000000000000000000040000000000000800001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>511000000113024080000900010820000000040000052000003520c00200000c4002005000800000000041080080000004208025408c30010020643000a04000c6110c00020024000090100000620000000405805001013240000422100040000c20040e004002000001040054140000240080500101c0441118000003510002004000080ce080080c020240082c0008111c08124c0014820000080000404080408310000010c00000004840017c25100ac00000a84108401000020008c002100010008524080012018000000601028000000000020040000d0000000800030000008110000100000000000040122000001000308442000e0000000050000002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBgBgAAAAAQMHACAAAAAD BgBgAAAAAQMGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAAAAEDBgBgAAAA AgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMEEAAgAAAAAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQGQGgAAAADAwEJACAAAAABCwABAAECAAEDAAMEAAQF AAUGAAUHAAcIAAgJaAwJCmgMCgtoDAsMaAwMDWgMDQ4ADg8ADxBoDBARaAwR EmgMEhNoDBMUaAwTFQANCGgMFA9oDEICAAAABggNDAsKCQYQERITFA8XBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:13Z</structure-indexed-at> </compound>