364761 <common-name>2-phenylethylcarbamodithioic acid</common-name> <description>2-phenylethylcarbamodithioic acid is a chemical compound with the formula C9H11NS2. It has an average molecular weight of 197.30 g/mol.</description> <cas nil="true"/> <pubchem-id>3032774</pubchem-id> <chemical-formula>C9H11NS2</chemical-formula> <weight>197.3</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">2026-09-01T15:02:06Z</created-at> <updated-at type="dateTime">2026-09-01T15:02:06Z</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=C(C=C1)CCNC(=S)S</moldb-smiles> <moldb-formula>C9H11NS2</moldb-formula> <moldb-inchi>InChI=1S/C9H11NS2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)</moldb-inchi> <moldb-inchikey>BZIYHCQUSPCWQC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">197.0332917</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM360654</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-phenylethylcarbamodithioic 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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0314734</sync-id> <structure-inchikey>BZIYHCQUSPCWQC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800040020000000000000000000004000000040000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000001000000000002000000000000000000000010000080000000000000000000000000000000000000000000000000000040000200000800000000000000080000000000100000000001000004000000000000000020000000000080000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000220000000000000000400000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGAGAAAAAC AgYAYAAAAAICBwBoAAAAAwIBBgAoAAAAAwQQACgAAAADAhAAYAAAAAEBCwAB aAwBAmgMAgNoDAMEaAwEBWgMAwYABgcABwgACAkgCQooAgkLAAUAaAxCAQAA AAYABQQDAgEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:04Z</structure-indexed-at> </compound>