333663 <common-name>Bis(2-ethylhexyl) 2-[(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate</common-name> <description>Bis(2-ethylhexyl) 2-[(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate is a chemical compound with the formula C22H38N2O4S3. It has an average molecular weight of 490.80 g/mol.</description> <cas>126104-53-8</cas> <pubchem-id>22619678</pubchem-id> <chemical-formula>C22H38N2O4S3</chemical-formula> <weight>490.8</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">2026-08-30T15:10:57Z</created-at> <updated-at type="dateTime">2026-08-30T15:10:57Z</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>CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)SC1=NNC(=S)S1</moldb-smiles> <moldb-formula>C22H38N2O4S3</moldb-formula> <moldb-inchi>InChI=1S/C22H38N2O4S3/c1-5-9-11-16(7-3)14-27-19(25)13-18(30-22-24-23-21(29)31-22)20(26)28-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,29)</moldb-inchi> <moldb-inchikey>DYYNWFDAXPEUEY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">490.1993712</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.9</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>CHEM329556</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>Bis(2-ethylhexyl) 2-[(2-sulfanylidene-3h-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioate</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>CED0284143</sync-id> <structure-inchikey>DYYNWFDAXPEUEY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000020800040000a00000010002000000200240000000000000800000002000000000000000000002000000000000000800000000000000000000000002000000000010000000000000020000010000100000000401020000001000020010000000020000000000004000000000000000000000000010000000000000040000000000000200000000000000000004000002000000000000000002000000000800000000000082000000008000000000000000000001000000000800000000000000000000000008000000000000000050000000000000000000000000000400100000000000000018400000000000000000000080000000000</structure-fingerprint> 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