46513 <common-name>N,N'-dimethyldiphenylthiuram disulphide</common-name> <description nil="true"/> <cas>10591-84-1</cas> <pubchem-id>82747</pubchem-id> <chemical-formula>C16H16N2S4</chemical-formula> <weight>364.6</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">2016-06-03T13:14:09Z</created-at> <updated-at type="dateTime">2026-08-19T15:28:40Z</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>CN(C(=S)SSC(=S)N(C)C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C16H16N2S4</moldb-formula> <moldb-inchi>InChI=1S/C16H16N2S4/c1-17(13-9-5-3-6-10-13)15(19)21-22-16(20)18(2)14-11-7-4-8-12-14/h3-12H,1-2H3</moldb-inchi> <moldb-inchikey>RDQQCSOIXMZZQR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">364.56</moldb-average-mass> <moldb-mono-mass type="decimal">364.019633219</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74673</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>CHEM045408</chemdb-id> <dsstox-id>DTXSID90147413</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008149</stoff-ident-id> <susdat-id>NS00009097</susdat-id> <iupac>[methyl(phenyl)carbamothioyl]sulfanyl N-methyl-N-phenylcarbamodithioate</iupac> <moldb-polar-surface-area>6.48</moldb-polar-surface-area> <moldb-refractivity>108.79600000000003</moldb-refractivity> <moldb-polarizability>37.85962548953556</moldb-polarizability> <moldb-rotatable-bond-count>5</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>0.4955273358521103</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>4.32</moldb-alogps-logp> <moldb-alogps-logs>-5.59</moldb-alogps-logs> <moldb-alogps-solubility>9.36e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0155500</sync-id> </compound>