<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365697</id>
  <title nil="true"/>
  <common-name>[(1-amino-2-sulfosulfanylethylidene)amino]cycloheptane</common-name>
  <description>[(1-amino-2-sulfosulfanylethylidene)amino]cycloheptane is a chemical compound with the formula C9H18N2O3S2. It has an average molecular weight of 266.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>218153</pubchem-id>
  <chemical-formula>C9H18N2O3S2</chemical-formula>
  <weight>266.4</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">2026-09-01T16:27:45Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:27:45Z</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>C1CCCC(CC1)N=C(CSS(=O)(=O)O)N</moldb-smiles>
  <moldb-formula>C9H18N2O3S2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H18N2O3S2/c10-9(7-15-16(12,13)14)11-8-5-3-1-2-4-6-8/h8H,1-7H2,(H2,10,11)(H,12,13,14)</moldb-inchi>
  <moldb-inchikey>VYSJWMOSNCCCOS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">266.0758848</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.9</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>CHEM361590</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-amino-2-sulfosulfanylethylidene)amino]cycloheptane</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>Organic acids and derivatives</superklass>
  <klass>Organic thiosulfuric acids and derivatives</klass>
  <subklass>S-alkyl thiosulfates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315645</sync-id>
  <structure-inchikey>VYSJWMOSNCCCOS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000800000001800000800000000000000000000000000000000000000000000000000020000000000000000000000000000000000000200000000020000180000008000000000000020000000000000000004000000000000000000010000000000000000000020000000020000000000000004000100100801000000000000000000000000000000001000000000000000000000000000000000000004000000000000000000000000000000000000080000000000002000000210000000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000010000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>540008408142020080400000010820000040000000052000002000c0020000044002008000900000040001000080000004200000008c10010000443000a04000c4510400000004005090100000e2000000000400400000b2404084220000c0000c2000020040020000000000d41000403040801009018004113800000210040200400008044000080c0002000808000811140012640014020300080000004080404300000000400000000840012c211002c000000801080010009000004002000000008404000002008002000461028000000000020040000d000000280000000000081010880084004000000010200000100010806000200000000050020002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������(�������(�������`������� ������ ������(�������(�������`�������h������������������������������(��	�	
�
�������������� ���B����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:44Z</structure-indexed-at>
</compound>
