63692 <common-name>Benzenamine, 4-(methylthio)-</common-name> <description>Benzenamine, 4-(methylthio)- is an organic compound with the formula C7H9N1S1 and an average molecular weight of 139.22 g/mol. Benzenamine, 4-(methylthio)- belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This substance is categorized under the superclass of organosulfur compounds. It has been identified in or released from one recorded source, which includes household cleaning and consumer products specifically related to non electric simulated smoking devices.</description> <cas>104-96-1</cas> <pubchem-id>66038</pubchem-id> <chemical-formula>C7H9N1S1</chemical-formula> <weight>139.22</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">2026-04-03T01:42:50Z</created-at> <updated-at type="dateTime">2026-08-24T10:15:37Z</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=CC=C(N)C=C1</moldb-smiles> <moldb-formula>C7H9N1S1</moldb-formula> <moldb-inchi>InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3</moldb-inchi> <moldb-inchikey>YKFROQCFVXOUPW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">139.22</moldb-average-mass> <moldb-mono-mass type="decimal">139.04557</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21111821</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>CHEM059585</chemdb-id> <dsstox-id>DTXSID7059309</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00015802</susdat-id> <iupac>4-methylsulfanylaniline</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">799</paper-count> <sync-id>CED0009315</sync-id> <structure-inchikey>YKFROQCFVXOUPW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000080000000000000000000000000000000000000000040000000000000000000000000009000000000000000000001000000000000000000000000000000080000000000000000004000000000000040000000000000000000000000008000000000000000000000001000000200000000000008000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1000000080300000000000000002000000000000004000000200040020000044000000000800000000001000080000004200020000c20010000442000a0000080110000020000000000000000620000000001004000000200000020000200000c0004040000020000000000400000002000801001000004511800000011000200400000044000000c00000008000000100c00024c00000000000800000040004003000000004000000008400034001002c0000000400840000000000000001000000004244800000180000000000000000000000000400000000000080000000000010000000000000000000000000000000000004000020008000050000400</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACQAAAIABBgBgAAAAAQMQACAAAAAC BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAcAaAAAAAMBAgZA aAAAAAMDAQZAaAAAAAMDAQsAAQABAgACA2gMAwRoDAQFaAwFBiAFB2gMBwho DAgCaAxCAQAAAAYCCAcFBAMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:24Z</structure-indexed-at> </compound>