12107 <common-name>2-Thiophenecarboxylic acid, 3-amino-, methyl ester</common-name> <description>2-Thiophenecarboxylic acid, 3-amino-, methyl ester belongs to the thiophene carboxylic acids and derivatives, a subclass of thiophenes within the organic compounds. This organoheterocyclic compound has the chemical formula C6H7NO2S and an average molecular weight of 157.19 g/mol.</description> <cas>22288-78-4</cas> <pubchem-id>89652</pubchem-id> <chemical-formula>C6H7NO2S</chemical-formula> <weight>157.19</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">2016-05-19T03:31:19Z</created-at> <updated-at type="dateTime">2026-08-23T14:25:24Z</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>COC(=O)C1=C(N)C=CS1</moldb-smiles> <moldb-formula>C6H7NO2S</moldb-formula> <moldb-inchi>InChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3</moldb-inchi> <moldb-inchikey>TWEQNZZOOFKOER-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">157.19</moldb-average-mass> <moldb-mono-mass type="decimal">157.019749643</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>80916</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>CHEM011002</chemdb-id> <dsstox-id>DTXSID7073436</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00027121</susdat-id> <iupac>methyl 3-aminothiophene-2-carboxylate</iupac> <moldb-polar-surface-area>52.32000000000001</moldb-polar-surface-area> <moldb-refractivity>39.67360000000001</moldb-refractivity> <moldb-polarizability>15.154604568922025</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.371430392032616</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.30</moldb-alogps-logp> <moldb-alogps-logs>-1.81</moldb-alogps-logs> <moldb-alogps-solubility>2.42e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Thiophenes</klass> <subklass>Thiophene carboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0106811</sync-id> <structure-inchikey>TWEQNZZOOFKOER-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>820000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000200020000000000000000000000020000010000100000000000000000000040000010000000040000000004000002200000000000000000000000000000000000040000000000000000000800080001000000000000000000000000000000000000000000000000000080000000000000000004000000000000000000000000001000000000000000000000000000000000000000000000200000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`�������(�������(�������(������@(������@(�������h�������@h�������@h�������@(����������� ��(��� ��h��� ��h���h�� h� �h�B��������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:04:42Z</structure-indexed-at> </compound>