<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277501</id>
  <title nil="true"/>
  <common-name>(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl thiocyanate</common-name>
  <description>(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl thiocyanate is a chemical compound with the formula C10H10N2O3S. It has an average molecular weight of 238.27 g/mol.</description>
  <cas>73806-17-4</cas>
  <pubchem-id>3056564</pubchem-id>
  <chemical-formula>C10H10N2O3S</chemical-formula>
  <weight>238.27</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">2026-08-26T17:18:45Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:18:45Z</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>C1CC2C3C(C1O2)C(=O)N(C3=O)CSC#N</moldb-smiles>
  <moldb-formula>C10H10N2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10N2O3S/c11-3-16-4-12-9(13)7-5-1-2-6(15-5)8(7)10(12)14/h5-8H,1-2,4H2</moldb-inchi>
  <moldb-inchikey>IVBMMYCNWLKIFA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">238.0412134</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.3</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>CHEM273394</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>(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)methyl 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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229642</sync-id>
  <structure-inchikey>IVBMMYCNWLKIFA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000800000000800000000000000000080000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000080000000000000020800020000000030000000000008000000200010000000000010000000000000000020100000000000000000000100020010000000001000000000000000000000000000000000000000000000000000000000004000000000000088000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000101000000000000000000000000040000100000000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>500202000502860080484244010831000100140201052000003460408200000c44271c50128400840140410800c0004004200225808c32010286647000a04100c5110408121014000090104000620600084005815101123262042d62002419000c2808070048220020208000d4340000200680108511e004311c2a7002110102404600194cd882080c040200882c4008391c8a524440160200200c8020c0c08450c300220102c00206000948052d211002c00001a941084018a1461008400a120811408424508093018000051511028004052000020450200d0022040a0201401110281200008000000084055112a0040c1002309242000e0000158050000846</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEgAAAIABBgBgAAAAAgIGAGAAAAAC
AgYAYAAAAAMBBgBgAAAAAwEGAGAAAAADAQYAYAAAAAMBCAAgAAAAAgYAKAAA
AAMECAAoAAAAAwIHACgAAAADAwYAKAAAAAMECAAoAAAAAwIGAGAAAAACAhAA
IAAAAAIGACgAAAACBAcAKAAAAAIDCwABAAECAAIDAAMEAAQFAAUGAAQHAAcI
KAIHCSAJCiAKCygCCQwADA0ADQ4ADg8IAwUAAAYCAAoDAEIDAAAABQABAgYF
BQYFBAMCBQcEAwoJFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:53:13Z</structure-indexed-at>
</compound>
