358490 <common-name>[(e)-3-chloroprop-2-enyl] thiocyanate</common-name> <description>[(e)-3-chloroprop-2-enyl] thiocyanate is a chemical compound with the formula C4H4ClNS. It has an average molecular weight of 133.60 g/mol.</description> <cas>76855-01-1</cas> <pubchem-id>6391021</pubchem-id> <chemical-formula>C4H4ClNS</chemical-formula> <weight>133.6</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">2026-09-01T06:13:26Z</created-at> <updated-at type="dateTime">2026-09-01T06:13:26Z</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>C(C=CCl)SC#N</moldb-smiles> <moldb-formula>C4H4ClNS</moldb-formula> <moldb-inchi>InChI=1S/C4H4ClNS/c5-2-1-3-7-4-6/h1-2H,3H2/b2-1+</moldb-inchi> <moldb-inchikey>KLFSZAVVJVHPTD-OWOJBTEDSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">132.975298</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</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>CHEM354383</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>[(e)-3-chloroprop-2-enyl] thiocyanate</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>Organosulfur compounds</superklass> <klass>Thiocyanates</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0308722</sync-id> <structure-inchikey>KLFSZAVVJVHPTD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000000000000000000000000000040000000000000000080000000000000000000000000000000000000000000000000200220000200020000000000000000000200000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000080000008000000000000000000000000000000000000102000000000080000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>8000000000000000000000000000000000040000000000400000000000000400000000000000000000000000040002000004000000004400000000000011000000000000000000000042000000000000000000020000000000000000003000000000000000000000000000000000001004008000110c0000001000020040000004000000040000000000000014040002000000000000080000004000c003000000008000000000000000020002c0000000000000000000000000000000000000200000000000000000000000000000000001000000000000080000000000040000000000000004000000000000000000000000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAHAAAABgAAAIABBgBgAAAAAgIGAGgAAAAD AwEGAGgAAAADAwERACAAAAABEAAgAAAAAgYAKAAAAAIEBwAoAAAAAgMLAAEA AQIIAgIDAAAEAAQFAAUGCANCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:56:09Z</structure-indexed-at> </compound>