283996 <common-name>5-[2-(3-methylphenoxy)propan-2-yl]-3h-1,3,4-oxadiazole-2-thione</common-name> <description>5-[2-(3-methylphenoxy)propan-2-yl]-3h-1,3,4-oxadiazole-2-thione belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C12H14N2O2S and an average molecular weight of 250.32 g/mol.</description> <cas>78613-29-3</cas> <pubchem-id>3033665</pubchem-id> <chemical-formula>C12H14N2O2S</chemical-formula> <weight>250.32</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">2026-08-27T19:36:18Z</created-at> <updated-at type="dateTime">2026-08-27T19:36:18Z</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>CC1=CC(=CC=C1)OC(C)(C)C2=NNC(=S)O2</moldb-smiles> <moldb-formula>C12H14N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C12H14N2O2S/c1-8-5-4-6-9(7-8)16-12(2,3)10-13-14-11(17)15-10/h4-7H,1-3H3,(H,14,17)</moldb-inchi> <moldb-inchikey>RSWXZWLOSMUIIN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">250.0775989</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM279889</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-[2-(3-methylphenoxy)propan-2-yl]-3h-1,3,4-oxadiazole-2-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>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0235896</sync-id> <structure-inchikey>RSWXZWLOSMUIIN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000401020008000000000000000000000000000000000000000000000002000000000000020008000000000000000000000000000020000000008002000000000202000000000008000000001000000000000000000000000000000000000000000001000000000000000000000000000000000040000010001400020008000002000000000000000000000000000002000000000000000000040000000000000000c0000000000000000008000000000000000000000000000000000000800000000000000000000040000042000000200000000000000000100000000000040000002000000000000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>50000000093202008000004001082000000014000105202000b220418200000c44028050008001000000410801800000042800a4008c30010000643000a04000c4112400021006000090100000620200000005805301193241000422402001100c2004060048820060000000c434020120028030c001e0041108082002110002404000080cd0020908004203082c0008111c0812440014820001080400400086404300801000c00000000840017d211002c0000089410840180002900a500210c04000a494800042018000000401028004000000020050300d1000040c00010010000810000100020008040300922006001000108442000e0000210050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@h�������@h�������@h��������(������� ������`�������`������@(������@(������@8�������@(�������(������@(�����������h���h���h���h���h��� ���� �� ������h�� h� �h���(���h���h���h�B���������������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:25Z</structure-indexed-at> </compound>