366257 <common-name>2-[(4-chlorophenyl)carbamothioylsulfanyl]acetic acid</common-name> <description>2-[(4-chlorophenyl)carbamothioylsulfanyl]acetic acid is a chemical compound with the formula C9H8ClNO2S2. It has an average molecular weight of 261.80 g/mol.</description> <cas>13037-00-8</cas> <pubchem-id>3038029</pubchem-id> <chemical-formula>C9H8ClNO2S2</chemical-formula> <weight>261.8</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">2026-09-01T17:21:23Z</created-at> <updated-at type="dateTime">2026-09-01T17:21:23Z</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>C1=CC(=CC=C1NC(=S)SCC(=O)O)Cl</moldb-smiles> <moldb-formula>C9H8ClNO2S2</moldb-formula> <moldb-inchi>InChI=1S/C9H8ClNO2S2/c10-6-1-3-7(4-2-6)11-9(14)15-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)</moldb-inchi> <moldb-inchikey>RRWGCLVEOLUMRC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.9684985</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM362150</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>2-[(4-chlorophenyl)carbamothioylsulfanyl]acetic acid</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>Halobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0316183</sync-id> <structure-inchikey>RRWGCLVEOLUMRC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000800040020800000000000000000100000080000000000000000000000000000000000000000004000000000000000000000000000000000000000000400000000000000000000020000000000000000000000000000000000000010080000010000000000000000000000000000000000000000000000000000000020400000000000000000080008000000000000000000000000000000000000000040000000000080000000008004000000000000000000000000000000000000000000000000000000000000010000000000000400240000000000000008000000000000040000040000400000000010000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>8902060000000000810820000000000000052000002080400200000440021844009000000000010000800000042000a0008c30090000443000a0000084110410020000100080102000624100000001004080403240000420000209000c200404004002000000000044300000200080100105e004511800000031000200c40008044000080c00020088080008111c0012444010020004080000004002c04300000000c00000000840213c231002c000000841084010040000004002100000c204244000020180000000050280000000004218400000000000080000000000000000000000000000001000200000100010804000020008000050000400</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@h�������@(�������h��������(�������(������� ������`�������(�������(�������h�������� �������h���h���h���h���h��� �� ��(�� � � ����(�� �����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:02:04Z</structure-indexed-at> </compound>