72329 <common-name>Thiazole, 2-bromo-5-nitro-</common-name> <description nil="true"/> <cas>3034-48-8</cas> <pubchem-id>18211</pubchem-id> <chemical-formula>C3H1Br1N2O2S1</chemical-formula> <weight>209.02</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">2026-04-03T21:39:14Z</created-at> <updated-at type="dateTime">2026-08-22T13:57:07Z</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>[O-][N+](=O)C1=CN=C(Br)S1</moldb-smiles> <moldb-formula>C3H1Br1N2O2S1</moldb-formula> <moldb-inchi>InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H</moldb-inchi> <moldb-inchikey>ANIJFZVZXZQFDH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">209.02</moldb-average-mass> <moldb-mono-mass type="decimal">207.894211</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>17200</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>CHEM068222</chemdb-id> <dsstox-id>DTXSID4062804</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028902</susdat-id> <iupac>2-bromo-5-nitro-1,3-thiazole</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"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Thiazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0136030</sync-id> <structure-inchikey>ANIJFZVZXZQFDH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000800000000000002800000000000000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000020000010000000001000800000400000000000000000000200000000000000000000000000000400000000000000000000000000000000000000000000000200000000001000000000000000000000000000000000000000000000080000000000000010080000000000000000000100000000000000000000000100000000000000000000000000000000000000000000400000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>300000011200000000000000082100000000000204000000202070080000044000000000800000000001000080028004200008008c00110000442040a0000080130400081040400080000000620000000000504001042240000020080000400c000400004002192000000444300202a0028030010900041118082000b00002004000080c400a011800020208080010110480024400100a0000881008000044404320000000400000041800012c201002c0000000000800080000000000020000000006044022000081000800010000000040100000402000008004080401000000000000000000000000100000000000000000004000080400000050000400</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€�� *���ÿ��� *��������(������@(������@h�������@(������@(�����#� �����@(�������� ��(��� ��h���h���h������h���h�B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:17Z</structure-indexed-at> </compound>