280986 <common-name>(1r,2r,6s,7r,8s)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene</common-name> <description>(1r,2r,6s,7r,8s)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C11H13NS and an average molecular weight of 191.29 g/mol.</description> <cas>72403-63-5</cas> <pubchem-id>21156079</pubchem-id> <chemical-formula>C11H13NS</chemical-formula> <weight>191.29</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">2026-08-26T20:56:47Z</created-at> <updated-at type="dateTime">2026-08-26T20:56:47Z</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>C1C=CC2C1C3CC2CC3N=C=S</moldb-smiles> <moldb-formula>C11H13NS</moldb-formula> <moldb-inchi>InChI=1S/C11H13NS/c13-6-12-11-5-7-4-10(11)9-3-1-2-8(7)9/h1-2,7-11H,3-5H2/t7-,8+,9+,10-,11+/m1/s1</moldb-inchi> <moldb-inchikey>UEIJWCCKGOJKLO-KJPMQGKISA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">191.0768706</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM276879</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>(1r,2r,6s,7r,8s)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0232988</sync-id> <structure-inchikey>UEIJWCCKGOJKLO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000080000000400200000200800008000020000000000004000000000000000000000000000000000010000000000002020000000000000000000000100000000080000010001000000080000000000040000000000000000000121000000800000000800000000000000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000002000000000000000000040000000000000002000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADwAAAIABBgBgAAAAAgIGAGgAAAAD AwEGAGgAAAADAwEGAGAAAAADAQYAYAAAAAMBBgBgAAAAAwEGAGAAAAACAgYA YAAAAAMBBgBgAAAAAgIGAGAAAAADAQcAKAAAAAMDBgAoAAAAAgQQACgAAAAD AgsAAQABAggCAgMAAwQABAUABQYABgcABwgACAkACQoACgsoAgsMKAIEAAAH AwAJBQBCAwAAAAUAAQIDBAUGBQQDBwUGBQkIBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:56:08Z</structure-indexed-at> </compound>