362598 <common-name>Methyl 2-amino-2-thiophen-3-ylacetate</common-name> <description>Methyl 2-amino-2-thiophen-3-ylacetate is a chemical compound with the formula C7H9NO2S. It has an average molecular weight of 171.22 g/mol.</description> <cas>791546-62-8</cas> <pubchem-id>13755818</pubchem-id> <chemical-formula>C7H9NO2S</chemical-formula> <weight>171.22</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">2026-09-01T11:55:16Z</created-at> <updated-at type="dateTime">2026-09-01T11:55:16Z</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)C(C1=CSC=C1)N</moldb-smiles> <moldb-formula>C7H9NO2S</moldb-formula> <moldb-inchi>InChI=1S/C7H9NO2S/c1-10-7(9)6(8)5-2-3-11-4-5/h2-4,6H,8H2,1H3</moldb-inchi> <moldb-inchikey>DKCFQFABKSDUDD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">171.0353997</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</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>CHEM358491</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>Methyl 2-amino-2-thiophen-3-ylacetate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0312659</sync-id> <structure-inchikey>DKCFQFABKSDUDD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000002000000000000000000000010000000000000000000010000000000000000000000000000000000000000000000000000000000000000400000000000000080000000000000000000000020000010000100000000000000000000002000010000000040000000000000000000000000000000100010008000000000000040000000000000000000000080001000000000000000000000000000000000000000000000000400080000000000000400000000000000000000000000000000000000000000000000000000000000000000000004000200004000000000000000000000000040000800000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMECAAoAAAAAwIGAGAAAAADAQZAKAAAAAMEBkBoAAAAAwMBEEAo AAAAAwIGQGgAAAADAwEGQGgAAAADAwEHAGAAAAABAgsAAQABAiACAygCAgQA BAUABQZoDAYHaAwHCGgMCAloDAQKAAkFaAxCAQAAAAUFBgcICRcEAAAAAAAA ABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:59:34Z</structure-indexed-at> </compound>