13592 <common-name>2-Benzothiazolesulfenamide, N,N-dicyclohexyl-</common-name> <description nil="true"/> <cas>4979-32-2</cas> <pubchem-id>21080</pubchem-id> <chemical-formula>C19H26N2S2</chemical-formula> <weight>346.6</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">2016-05-19T03:56:42Z</created-at> <updated-at type="dateTime">2026-04-17T17:20:03Z</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>C1CCC(CC1)N(SC1=NC2=CC=CC=C2S1)C1CCCCC1</moldb-smiles> <moldb-formula>C19H26N2S2</moldb-formula> <moldb-inchi>InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2</moldb-inchi> <moldb-inchikey>CMAUJSNXENPPOF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">346.55</moldb-average-mass> <moldb-mono-mass type="decimal">346.153741193</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>19825</chemspider-id> <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>CHEM012487</chemdb-id> <dsstox-id>DTXSID3027584</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00003781</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>16.130000000000003</moldb-polar-surface-area> <moldb-refractivity>97.6959</moldb-refractivity> <moldb-polarizability>40.191412640498555</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>5.248500459089323</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>6.51</moldb-alogps-logp> <moldb-alogps-logs>-5.11</moldb-alogps-logs> <moldb-alogps-solubility>2.69e-03 g/l</moldb-alogps-solubility> </compound>