93607 <common-name>A-allylbenzo[b]thiophene-3-propionic acid</common-name> <description>A-allylbenzo[b]thiophene-3-propionic acid belongs to the 1-benzothiophenes, a subclass of benzothiophenes within the organic compounds. It is an organoheterocyclic compound with the chemical formula C14H14O2S and an average molecular weight of 246.32 g/mol.</description> <cas>35062-46-5</cas> <pubchem-id>21424834</pubchem-id> <chemical-formula>C14H14O2S</chemical-formula> <weight nil="true"/> <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">2026-04-05T02:13:44Z</created-at> <updated-at type="dateTime">2026-04-05T02:13:44Z</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>OC(=O)C(CC=C)CC1=CSC2=CC=CC=C12</moldb-smiles> <moldb-formula>C14H14O2S</moldb-formula> <moldb-inchi>InChI=1/C14H14O2S/c1-2-5-10(14(15)16)8-11-9-17-13-7-4-3-6-12(11)13/h2-4,6-7,9-10H,1,5,8H2,(H,15,16)</moldb-inchi> <moldb-inchikey>VUUQWXGBGKFKDF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">246.32</moldb-average-mass> <moldb-mono-mass type="decimal">246.0714507</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM089500</chemdb-id> <dsstox-id>DTXSID90956507</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055233</susdat-id> <iupac nil="true"/> <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>Benzothiophenes</klass> <subklass>1-benzothiophenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0150585</sync-id> <structure-inchikey>VUUQWXGBGKFKDF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000800800000000001800000000000000000000000000000000000000000000000000000000000000000000000000004000000000000000004000000000000000000000080000000000000000000000020000010000200000000000000000000000000010400000000000280000400000000000008000000000000040000001000000000000000800000000000000004000000000100000000000000001000000000000000000004040200080000000001000000000000000000000000000000000001040000000000000000440000000000000000000000000200000000000000000000000800000044000000000400000000000000000000000000000000</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���h�B������ ���� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:35:16Z</structure-indexed-at> </compound>