364986 <common-name>1-(3,4-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol</common-name> <description>1-(3,4-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol is a chemical compound with the formula C9H13Cl2NOS. It has an average molecular weight of 254.18 g/mol.</description> <cas>54954-71-1</cas> <pubchem-id>3043021</pubchem-id> <chemical-formula>C9H13Cl2NOS</chemical-formula> <weight>254.18</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">2026-09-01T15:21:51Z</created-at> <updated-at type="dateTime">2026-09-01T15:21:51Z</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>CC(C)NCC(C1=C(C(=CS1)Cl)Cl)O</moldb-smiles> <moldb-formula>C9H13Cl2NOS</moldb-formula> <moldb-inchi>InChI=1S/C9H13Cl2NOS/c1-5(2)12-3-7(13)9-8(11)6(10)4-14-9/h4-5,7,12-13H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>MLEZXTNJVCIXAW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">253.0094906</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM360879</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-(3,4-dichlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol</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>CED0314949</sync-id> <structure-inchikey>MLEZXTNJVCIXAW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000880000000000000000000000000000000000100000000000001000100000000000000002000000000000000000000008000000000000000000000080400000000002000000000000000010000200000000000000000000020000010000000000000000000000000000000000040000000000000010000800000040000000000000000000000080000000010100000000000000000000000000000000000000002000080000000000020000000000000000000000000000000001020000000000000000000000000010000000000000000000000000000000000000000000000040000000000000000000000000000000000000020000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBwBgAAAAAgEGAGAAAAACAgYAYAAAAAMBBkAoAAAAAwQGQCgA AAADBAZAKAAAAAMEBkBoAAAAAwMBEEAoAAAAAwIRACAAAAABEQAgAAAAAQgA YAAAAAEBCwABAAECAAEDAAMEAAQFAAUGAAYHaAwHCGgMCAloDAkKaAwICwAH DAAFDQAKBmgMQgEAAAAFBgcICQoXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:13Z</structure-indexed-at> </compound>