20078 <common-name>Methisazone</common-name> <description nil="true"/> <cas>1910-68-5</cas> <pubchem-id>5357051</pubchem-id> <chemical-formula>C10H10N4OS</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">2016-05-22T05:43:43Z</created-at> <updated-at type="dateTime">2026-05-14T19:35:34Z</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>DB13641</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>CN1C(=O)\C(=N\NC(S)=N)C2=CC=CC=C12</moldb-smiles> <moldb-formula>C10H10N4OS</moldb-formula> <moldb-inchi>InChI=1S/C10H10N4OS/c1-14-7-5-3-2-4-6(7)8(9(14)15)12-13-10(11)16/h2-5H,1H3,(H3,11,13,16)/b12-8+</moldb-inchi> <moldb-inchikey>DLGSOJOOYHWROO-XYOKQWHBSA-N</moldb-inchikey> <moldb-average-mass type="decimal">234.28</moldb-average-mass> <moldb-mono-mass type="decimal">234.057532132</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>5145344</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>CHEM018973</chemdb-id> <dsstox-id>DTXSID7046413</dsstox-id> <toxcast-id>46413</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00026236</susdat-id> <iupac>{[(3Z)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea</iupac> <moldb-polar-surface-area>68.55000000000001</moldb-polar-surface-area> <moldb-refractivity>84.8691</moldb-refractivity> <moldb-polarizability>23.759921646034606</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>6.674209771402407</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.139774735280058</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.42</moldb-alogps-logp> <moldb-alogps-logs>-3.32</moldb-alogps-logs> <moldb-alogps-solubility>1.13e-01 g/l</moldb-alogps-solubility> </compound>