287837 <common-name>5-[(4-chlorophenyl)methylsulfanyl]-1-(pyrrolidin-2-ylmethyl)tetrazole</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>45792163</pubchem-id> <chemical-formula>C13H16ClN5S</chemical-formula> <weight>309.82</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">2026-08-28T00:29:51Z</created-at> <updated-at type="dateTime">2026-08-28T00:29:51Z</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>C1CC(NC1)CN2C(=NN=N2)SCC3=CC=C(C=C3)Cl</moldb-smiles> <moldb-formula>C13H16ClN5S</moldb-formula> <moldb-inchi>InChI=1S/C13H16ClN5S/c14-11-5-3-10(4-6-11)9-20-13-16-17-18-19(13)8-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2</moldb-inchi> <moldb-inchikey>JCEGBHVPQLJJQT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">309.0814944</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM283730</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>5-[(4-chlorophenyl)methylsulfanyl]-1-(pyrrolidin-2-ylmethyl)tetrazole</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>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0239608</sync-id> <structure-inchikey>JCEGBHVPQLJJQT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000020000002000000080000000004000000000004200000004000000002000000000000000000001000040000000000000000000400000000000000100000100008000000000000000000210002000000000000080000000000002000000000800020100000000000000000000100800000000020000000000200000002000080000000000000000000000000000100000000004000000000000080000000000000000000000000000a01000000000000000000000000000000000000000000010000000000004100220000001000000000000000000000040000000008000000000000000000000000000000000</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�B�������������� ������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:04Z</structure-indexed-at> </compound>