341241 <common-name>2-(3,4-dihydro-2h-chromen-6-yl)-5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-1,3-oxazole</common-name> <description>2-(3,4-dihydro-2h-chromen-6-yl)-5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-1,3-oxazole is a chemical compound with the formula C25H20N3O2S+. It has an average molecular weight of 426.50 g/mol.</description> <cas nil="true"/> <pubchem-id>10481303</pubchem-id> <chemical-formula>C25H20N3O2S+</chemical-formula> <weight>426.5</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">2026-08-31T01:29:34Z</created-at> <updated-at type="dateTime">2026-08-31T01:29:34Z</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 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>C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CC5=CC(=CC=C5)N=C=S)OC1</moldb-smiles> <moldb-formula>C25H20N3O2S+</moldb-formula> <moldb-inchi>InChI=1S/C25H20N3O2S/c31-17-27-22-5-1-3-18(13-22)16-28-10-8-19(9-11-28)24-15-26-25(30-24)21-6-7-23-20(14-21)4-2-12-29-23/h1,3,5-11,13-15H,2,4,12,16H2/q+1</moldb-inchi> <moldb-inchikey>ABLGIPNTTBXOCN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">426.1276231</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.1</logp> <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>CHEM337134</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-(3,4-dihydro-2h-chromen-6-yl)-5-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-1,3-oxazole</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>Benzopyrans</klass> <subklass>1-benzopyrans</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0291639</sync-id> <structure-inchikey>ABLGIPNTTBXOCN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000800040020040000000040000100000000000000000000000000000000000000000000000002000200000000000400001008000000000000000000008000004000008010000000000800020000000000204000000000000000000000400000000000040100000800000160000020000800000001002000811010000200002800000800000000000802000000000000000080000100000000000100000000000002000080000000000000000080000000000000000004100000000000000000800000000000000000000000000000000200220000001000000000000100002000040010000400000002000002000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������#���€���`�������`������@(������@(������@h�������@h�������@(������@h�������@(������@(������@h�������@(������@(������@(������@h�������@h�������`*�������@h�������@h��������`������@(������@h�������@(������@h�������@h�������@h��������(�������(�������(�������(�������`��������������h���h���h���h���h��� � h� h� �h���h�� �h���h���h���h���h���������h���h���h���h���h��� ��(���(��� ��������h���h�� h���h�B������������������� ��� ������ �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:14Z</structure-indexed-at> </compound>