16704 <common-name>N-Cyclohexyl-2-benzothiazolesulfenamide</common-name> <description nil="true"/> <cas>95-33-0</cas> <pubchem-id>7232</pubchem-id> <chemical-formula>C13H16N2S2</chemical-formula> <weight>264.4</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">2016-05-19T04:54:50Z</created-at> <updated-at type="dateTime">2026-05-14T19:42:03Z</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>DB14200</drugbank-id> <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)NSC1=NC2=CC=CC=C2S1</moldb-smiles> <moldb-formula>C13H16N2S2</moldb-formula> <moldb-inchi>InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2</moldb-inchi> <moldb-inchikey>DEQZTKGFXNUBJL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">264.41</moldb-average-mass> <moldb-mono-mass type="decimal">264.075490871</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.62</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>6962</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>CHEM015599</chemdb-id> <dsstox-id>DTXSID5020360</dsstox-id> <toxcast-id>20360</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00006793</susdat-id> <iupac>N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine</iupac> <moldb-polar-surface-area>24.92</moldb-polar-surface-area> <moldb-refractivity>82.39989999999999</moldb-refractivity> <moldb-polarizability>30.0604084244565</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>5.734501637089159</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>3.98</moldb-alogps-logp> <moldb-alogps-logs>-4.29</moldb-alogps-logs> <moldb-alogps-solubility>1.35e-02 g/l</moldb-alogps-solubility> </compound>