82144 <common-name>Di(ethyl)[1-methyl-3,3-di(thien-2-yl)allyl]ammonium chloride</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6833</pubchem-id> <chemical-formula>C16H21NS2</chemical-formula> <weight>291.5</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">2026-04-04T18:44:41Z</created-at> <updated-at type="dateTime">2026-08-28T19:57:49Z</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>Cl.CCN(CC)C(C)C=C(C1=CC=CS1)C1=CC=CS1</moldb-smiles> <moldb-formula>C16H21NS2</moldb-formula> <moldb-inchi>InChI=1/C16H21NS2.ClH/c1-4-17(5-2)13(3)12-14(15-8-6-10-18-15)16-9-7-11-19-16;/h6-13H,4-5H2,1-3H3;1H</moldb-inchi> <moldb-inchikey>AOBYZQVXPIBGCZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">327.93</moldb-average-mass> <moldb-mono-mass type="decimal">291.1115417</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>6572</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>CHEM078037</chemdb-id> <dsstox-id>DTXSID50927490</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00041586</susdat-id> <iupac>N,N-diethyl-4,4-dithiophen-2-ylbut-3-en-2-amine</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>Organoheterocyclic compounds</superklass> <klass>Heteroaromatic compounds</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0177373</sync-id> <structure-inchikey>AOBYZQVXPIBGCZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000001800000000000000000000800040000000000000040000000001002000000000000000000000100000000100000000000000000000000010000000000000000000000000000000000004010000200000000001040000000000000010000000000000000004000000010000800002000000000000000000000000040000000800000000000000000001000000000000000000000000000000000000000000000000000080000000000000000000000000000000000000820000001200000000000000000000000000000000000000000000200000000000000000000000000000040000000000000000000000000000000000000000000</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� � ��h���h���h���h�� h���h�B������ � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:28:26Z</structure-indexed-at> </compound>