<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320512</id>
  <title nil="true"/>
  <common-name>2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole</common-name>
  <description>2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole is a chemical compound with the formula C20H14Cl2N2S3. It has an average molecular weight of 449.40 g/mol.</description>
  <cas>476484-10-3</cas>
  <pubchem-id>1888714</pubchem-id>
  <chemical-formula>C20H14Cl2N2S3</chemical-formula>
  <weight>449.4</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">2026-08-29T19:27:15Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:27:15Z</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>C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC4=C(C=CC=C4Cl)Cl</moldb-smiles>
  <moldb-formula>C20H14Cl2N2S3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H14Cl2N2S3/c21-17-9-4-10-18(22)16(17)12-26-20-24-23-19(27-20)25-11-14-7-3-6-13-5-1-2-8-15(13)14/h1-10H,11-12H2</moldb-inchi>
  <moldb-inchikey>NSMSUVWLEVAZIF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">447.9696174</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.5</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>CHEM316405</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-[(2,6-dichlorophenyl)methylsulfanyl]-5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazole</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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271253</sync-id>
  <structure-inchikey>NSMSUVWLEVAZIF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000000002000000000000000000002000000000000000000000004000002002000000000000000000000000000000000000000000900400000000000000000000040000010000000000000000000002000000004000000000000000000000000000000000000000000020000010000000001000000000001800080000000000000080000000100000000000100020000000000000000000004040000080000000200000000000000000000000000000000000001040000040000000000000000000010000000000000000200000000000000000000000001000040000000000000000000000000000000000000802000</structure-fingerprint>
  <structure-pattern-fingerprint>501000108d12824081403b408128a0000000140081252000003720408204080c4c22081c528000000004410820c0000004600224c08d36010026643000a04010c6110c001290041088901000207a02008804058055011b3240040422400040000c2805270048020060000400c5140008202680700109c00411082860025100121040000a4ef082080c062252882c0008191d081244801c821000082008c04084c00310100090c12002000960017c27100ac000008941084818804a1008e00210804002a42480003301808400141502800c090000620050200d5002040880030010104010088102000000040151122000001000308042140e0000100051000200</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�	
�
������h��h���h���h������������h���h���h���h���h���������h�	�h���h���h�B���������������	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:25:39Z</structure-indexed-at>
</compound>
