283893 <common-name>5-(4-chlorophenyl)-2-methyl-4-propyl-1,2,4-triazole-3-thione</common-name> <description>5-(4-chlorophenyl)-2-methyl-4-propyl-1,2,4-triazole-3-thione belongs to the triazoles, a subclass of azoles within the organic compounds. It is categorized as an organoheterocyclic compound with the chemical formula C12H14ClN3S. This compound has an average molecular weight of 267.78 g/mol.</description> <cas>110623-27-3</cas> <pubchem-id>3066602</pubchem-id> <chemical-formula>C12H14ClN3S</chemical-formula> <weight>267.78</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">2026-08-27T19:30:06Z</created-at> <updated-at type="dateTime">2026-08-27T19:30:06Z</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>CCCN1C(=NN(C1=S)C)C2=CC=C(C=C2)Cl</moldb-smiles> <moldb-formula>C12H14ClN3S</moldb-formula> <moldb-inchi>InChI=1S/C12H14ClN3S/c1-3-8-16-11(14-15(2)12(16)17)9-4-6-10(13)7-5-9/h4-7H,3,8H2,1-2H3</moldb-inchi> <moldb-inchikey>AHIVHVFEZKDSJY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">267.0596963</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM279786</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)-2-methyl-4-propyl-1,2,4-triazole-3-thione</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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235797</sync-id> <structure-inchikey>AHIVHVFEZKDSJY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800040000000000000000000000000080080000000000000000002000000000000000000002000000000000000000100000000200000000000000000400000000000000000000000000000000000000000000000000000000020200088000000000000000000800000000100000000000000000000000000000040020000000040000000004000800000000000000000000000000000000000000000000001000000080000000000000000000000000000000000000000000000000000000000000000800000000010000000042000000200080000000000008000000040000040000000000000000000080000000000000000000000</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">2026-09-19T04:58:20Z</structure-indexed-at> </compound>