<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">333763</id>
  <title nil="true"/>
  <common-name>2-[[2-amino-2-(cyclooctylmethylimino)ethyl]disulfanyl]-n'-(cyclooctylmethyl)ethanimidamide</common-name>
  <description>2-[[2-amino-2-(cyclooctylmethylimino)ethyl]disulfanyl]-n'-(cyclooctylmethyl)ethanimidamide is a compound with the chemical formula C22H42N4S2. It has an average molecular weight of 426.70 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>38434</pubchem-id>
  <chemical-formula>C22H42N4S2</chemical-formula>
  <weight>426.7</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">2026-08-30T15:18:07Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:18:07Z</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>C1CCCC(CCC1)CN=C(CSSCC(=NCC2CCCCCCC2)N)N</moldb-smiles>
  <moldb-formula>C22H42N4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H42N4S2/c23-21(25-15-19-11-7-3-1-4-8-12-19)17-27-28-18-22(24)26-16-20-13-9-5-2-6-10-14-20/h19-20H,1-18H2,(H2,23,25)(H2,24,26)</moldb-inchi>
  <moldb-inchikey>WFBBWEDUPSUHAX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">426.2850897</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM329656</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-[[2-amino-2-(cyclooctylmethylimino)ethyl]disulfanyl]-n'-(cyclooctylmethyl)ethanimidamide</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>Organic disulfides</klass>
  <subklass>Dialkyldisulfides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284242</sync-id>
  <structure-inchikey>WFBBWEDUPSUHAX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000004000008000000800000000800000800000002000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000004000000000000000000010000000040000000000020000000020000000000000002000000108800010000000000000000000000000000001000000000000000000000100000000000000004000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000040000008000000000000000000000000000000000000000000000000000010000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>440008408552020001400100012820000040000001052000003000c00200080c4002009000800000040041000080000004600004008c10010000643000a00000c6110400008000000080100000720000000400004001003240408422000000000c2001200040020000000000d5140000200080500901800411380000021004021040000806e080080c020250082c0008111c0812440014021000088000404000400310000010c00000000840016c25100ac00000880108001000080000400200000000840400002200800000000102800000000002004000090000000800020000004800008800840000000000022000005000308042000c0000000050020002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������`������� ������ ������`�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:35:47Z</structure-indexed-at>
</compound>
