<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5622</id>
  <title nil="true"/>
  <common-name>Leptophos</common-name>
  <description>Leptophos is an organic compound with the chemical formula C13H10BrCl2O2PS and an average molecular weight of 412.07 g/mol. Leptophos belongs to the phenylphosphonothioates, a subclass of benzene and substituted derivatives within the organic compounds.

This substance has been identified in or released from 32 recorded sources across several categories. Within electrical and electronic equipment, it is found in antennas, amplifiers, adjustable resistors, discharge lamps, and colour television systems, among 11 other sources. In the realm of building and construction, it is associated with floors, ceilings, fencing, ladders, and stairs and ramps, as well as 3 additional sources. Its presence is also noted in household items such as key rings and badges. Furthermore, it is found in household cleaning and consumer products, including bleaching agents, ash trays, tobacco pipes, and pipe accessories. Finally, the compound is linked to food, food processing and cookware, specifically in the processing of meats and fish.</description>
  <cas>21609-90-5</cas>
  <pubchem-id>30709</pubchem-id>
  <chemical-formula>C13H10BrCl2O2PS</chemical-formula>
  <weight>412.1</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">2016-05-19T01:48:21Z</created-at>
  <updated-at type="dateTime">2026-08-18T22:16:25Z</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>COP(=S)(OC1=C(Cl)C=C(Br)C(Cl)=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C13H10BrCl2O2PS</moldb-formula>
  <moldb-inchi>InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3</moldb-inchi>
  <moldb-inchikey>CVRALZAYCYJELZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">412.066</moldb-average-mass>
  <moldb-mono-mass type="decimal">409.869954827</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>28496</chemspider-id>
  <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>CHEM004517</chemdb-id>
  <dsstox-id>DTXSID3040279</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005630</susdat-id>
  <iupac>(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane</iupac>
  <moldb-polar-surface-area>18.46</moldb-polar-surface-area>
  <moldb-refractivity>91.21190000000001</moldb-refractivity>
  <moldb-polarizability>34.211515514556716</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>6.37</moldb-alogps-logp>
  <moldb-alogps-logs>-6.79</moldb-alogps-logs>
  <moldb-alogps-solubility>6.63e-05 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylphosphonothioates</subklass>
  <paper-count type="integer">119</paper-count>
  <sync-id>CED0018056</sync-id>
  <structure-inchikey>CVRALZAYCYJELZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000000040000000000000000000000080000000000000000000000000000000000000000012000014000000000000004000000000000010000000000000400000000040000002000000000000000100000000800000000000000000000000004050000000100000000000000000000000000000000000000000000040000000800002000020000000000000000100000000000000000000000000000000000000000000080000000000000001000000000000000000000004000000000000000000000100000000000010000000000040000200000000000000000000000000000040000000000000000000100030000001000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������ ������(�������(������@(������@(������� �����@h�������@(�����#� �����@(������� �����@h�������@(������@h�������@h�������@h�������@h�������@h���������������������� ��h������h��	h�	
�	�h�����h������h���h���h���h���h��h���h�B�������	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:02:00Z</structure-indexed-at>
</compound>
