313163 <common-name>4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol</common-name> <description>4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol is a chemical compound with the formula C18H21NOS. It has an average molecular weight of 299.40 g/mol.</description> <cas>1156-12-3</cas> <pubchem-id>120858</pubchem-id> <chemical-formula>C18H21NOS</chemical-formula> <weight>299.4</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">2026-08-29T09:54:19Z</created-at> <updated-at type="dateTime">2026-08-29T09:54:19Z</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>CCN(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CS2)O</moldb-smiles> <moldb-formula>C18H21NOS</moldb-formula> <moldb-inchi>InChI=1S/C18H21NOS/c1-3-19(4-2)14-9-13-18(20,17-12-8-15-21-17)16-10-6-5-7-11-16/h5-8,10-12,15,20H,3-4,14H2,1-2H3</moldb-inchi> <moldb-inchikey>SXVKTKWFUYPPRC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">299.1343855</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM309056</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>4-(diethylamino)-1-phenyl-1-thiophen-2-ylbut-2-yn-1-ol</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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0264080</sync-id> <structure-inchikey>SXVKTKWFUYPPRC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000800000002100000001000000000000000000800040100000000002000000000000000000000104000000000100001000000000000000000000000000000000400000000000000000000034000000000000000000000000000000010000000000000000004000000000000800100000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000400000000000000080000000040440000000000000000000000000000000001000000000000000000000000000000800000000000010200000000000000000000000000080040000000080000000000000000040000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFgAAAIABBgBgAAAAAQMGAGAAAAAC AgcAIAAAAAMGAGAAAAACAgYAYAAAAAEDBgBgAAAAAgIGACgAAAACBAYAKAAA AAIEBgAgAAAABAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEQQCgAAAADAggAYAAAAAEBCwABAAECAAIDAAMEAAIFAAUGAAYH CAMHCAAICQAJCmgMCgtoDAsMaAwMDWgMDQ5oDAgPAA8QaAwQEWgMERJoDBIT aAwIFAAOCWgMEw9oDEICAAAABgoLDA0OCQUQDxMSERcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:58Z</structure-indexed-at> </compound>