18069 <common-name>2-Aminobenzothiazole</common-name> <description nil="true"/> <cas>136-95-8</cas> <pubchem-id>8706</pubchem-id> <chemical-formula>C7H6N2S</chemical-formula> <weight>150.2</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">2016-05-22T03:49:46Z</created-at> <updated-at type="dateTime">2026-08-24T05:58:10Z</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>N=C1NC2=CC=CC=C2S1</moldb-smiles> <moldb-formula>C7H6N2S</moldb-formula> <moldb-inchi>InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)</moldb-inchi> <moldb-inchikey>UHGULLIUJBCTEF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">150.201</moldb-average-mass> <moldb-mono-mass type="decimal">150.025168892</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8382</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>CHEM016964</chemdb-id> <dsstox-id>DTXSID1024467</dsstox-id> <toxcast-id>24467</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010260</susdat-id> <iupac>1,3-benzothiazol-2-amine</iupac> <moldb-polar-surface-area>35.88</moldb-polar-surface-area> <moldb-refractivity>55.1795</moldb-refractivity> <moldb-polarizability>15.06452529611614</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>5.8978301484709075</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.69</moldb-alogps-logp> <moldb-alogps-logs>-1.94</moldb-alogps-logs> <moldb-alogps-solubility>1.71e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> </compound>