285443 <common-name>1-methoxy-2-[3-(2-sulfosulfanylethylamino)propyl]benzene</common-name> <description>1-methoxy-2-[3-(2-sulfosulfanylethylamino)propyl]benzene belongs to the phenylpropylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H19NO4S2 and an average molecular weight of 305.40 g/mol.</description> <cas>21224-53-3</cas> <pubchem-id>210353</pubchem-id> <chemical-formula>C12H19NO4S2</chemical-formula> <weight>305.4</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">2026-08-27T21:11:09Z</created-at> <updated-at type="dateTime">2026-08-27T21:11:09Z</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>COC1=CC=CC=C1CCCNCCSS(=O)(=O)O</moldb-smiles> <moldb-formula>C12H19NO4S2</moldb-formula> <moldb-inchi>InChI=1S/C12H19NO4S2/c1-17-12-7-3-2-5-11(12)6-4-8-13-9-10-18-19(14,15)16/h2-3,5,7,13H,4,6,8-10H2,1H3,(H,14,15,16)</moldb-inchi> <moldb-inchikey>CLPXZXNGWRIVJX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">305.0755504</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.9</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>CHEM281336</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>1-methoxy-2-[3-(2-sulfosulfanylethylamino)propyl]benzene</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>Benzene and substituted derivatives</klass> <subklass>Phenylpropylamines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0237269</sync-id> <structure-inchikey>CLPXZXNGWRIVJX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000001800000000000000000000000000000000400000000000000000000000020000000000000000000000000000000000000000000000000000000008008000000000000020001000000100000000000000000010000000010000000048000000000000000000000000000000000000000900000001000040000000800004000000000080000002000100000004001000000000000000000020000004000000080000002000000000000000080000000000010080000000000000040000000000000004000000000000000000000200000000000000000000000000000040000000010000000000000020000000000000000002</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAEwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkAoAAAAAwQGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIHAGAAAAACAQYAYAAA AAICBgBgAAAAAgIQACAAAAACEAAgAAAABggAKAAAAAMCCAAoAAAAAwIIAGAA AAABAQsAAQABAiACA2gMAwRoDAQFaAwFBmgMBgdoDAcIAAgJAAkKAAoLAAsM AAwNAA0OAA4PAA8QCAIPEQgCDxIABwJoDEIBAAAABgIHBgUEAxcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:59:25Z</structure-indexed-at> </compound>