78602 <common-name>Ethanol, 2,2'-[[3-methyl-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]imino]bis-, diacetate (ester)</common-name> <description nil="true"/> <cas>70660-53-6</cas> <pubchem-id>116780</pubchem-id> <chemical-formula>C22H23N5O6S1</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">2026-04-04T12:44:26Z</created-at> <updated-at type="dateTime">2026-04-04T12:44:26Z</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(=O)OCCN(CCOC(C)=O)C1=CC=C(N=NC2=NC3=CC=C(C=C3S2)[N+]([O-])=O)C(C)=C1</moldb-smiles> <moldb-formula>C22H23N5O6S1</moldb-formula> <moldb-inchi>InChI=1S/C22H23N5O6S/c1-14-12-17(26(8-10-32-15(2)28)9-11-33-16(3)29)4-6-19(14)24-25-22-23-20-7-5-18(27(30)31)13-21(20)34-22/h4-7,12-13H,8-11H2,1-3H3/b25-24+</moldb-inchi> <moldb-inchikey>QWTGQMDYCRRUTB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">485.52</moldb-average-mass> <moldb-mono-mass type="decimal">485.136904</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>104387</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>CHEM074495</chemdb-id> <dsstox-id>DTXSID2072093</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037079</susdat-id> <iupac>2-[N-(2-acetyloxyethyl)-3-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate</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"/> </compound>