44781 <common-name>rubber vulcanizing agent</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C18H17N3O2S4</chemical-formula> <weight nil="true"/> <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">2016-06-03T11:09:27Z</created-at> <updated-at type="dateTime">2016-11-09T01:22:58Z</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>CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC1=NC2=C(S1)C(O)=C(O)C=C2</moldb-smiles> <moldb-formula>C18H17N3O2S4</moldb-formula> <moldb-inchi>InChI=1S/C18H17N3O2S4/c1-18(2,3)21(26-16-19-10-6-4-5-7-13(10)24-16)27-17-20-11-8-9-12(22)14(23)15(11)25-17/h4-9,22-23H,1-3H3</moldb-inchi> <moldb-inchikey>MXSXORMVOPGRGM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">435.59</moldb-average-mass> <moldb-mono-mass type="decimal">435.020361495</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM043676</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Howard & Muir 2013</stoff-ident-origin> <stoff-ident-id>SI00003245</stoff-ident-id> <susdat-id nil="true"/> <iupac>2-{[(1,3-benzothiazol-2-ylsulfanyl)(tert-butyl)amino]sulfanyl}-1,3-benzothiazole-6,7-diol</iupac> </compound>