365136 <common-name>2-methylsulfanyl-2-phenylethanamine</common-name> <description>2-methylsulfanyl-2-phenylethanamine is a chemical compound with the formula C9H13NS. It has an average molecular weight of 167.27 g/mol.</description> <cas>98234-85-6</cas> <pubchem-id>3063443</pubchem-id> <chemical-formula>C9H13NS</chemical-formula> <weight>167.27</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">2026-09-01T15:36:20Z</created-at> <updated-at type="dateTime">2026-09-01T15:36:20Z</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>CSC(CN)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C9H13NS</moldb-formula> <moldb-inchi>InChI=1S/C9H13NS/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7,10H2,1H3</moldb-inchi> <moldb-inchikey>CRCIORLZWWWFAK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">167.0768706</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM361029</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>2-methylsulfanyl-2-phenylethanamine</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315095</sync-id> <structure-inchikey>CRCIORLZWWWFAK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000800000000000000000000000000000000000000000000080000000000000000000004200000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000400000000000008008040000000800000000000000000001000000100000000000000000000000000000000000000000400080000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000200000000000000000000000000000040000000040000000000000000000000000002000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`������@(������@h�������@h�������@h�������@h�������@h������������������������h���h���h�� h� h� �h�B������ �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:18Z</structure-indexed-at> </compound>