286653 <common-name>13-ethyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-10-thione</common-name> <description>13-ethyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-10-thione belongs to the pyrrolopyrimidines, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C13H10N4S2 and an average molecular weight of 286.40 g/mol.</description> <cas>116989-28-7</cas> <pubchem-id>3088115</pubchem-id> <chemical-formula>C13H10N4S2</chemical-formula> <weight>286.4</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">2026-08-27T22:55:05Z</created-at> <updated-at type="dateTime">2026-08-27T22:55:05Z</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>CCC1=NN2C(=S)C3=C(C4=CC=CC=C4N3)N=C2S1</moldb-smiles> <moldb-formula>C13H10N4S2</moldb-formula> <moldb-inchi>InChI=1S/C13H10N4S2/c1-2-9-16-17-12(18)11-10(15-13(17)19-9)7-5-3-4-6-8(7)14-11/h3-6,14H,2H2,1H3</moldb-inchi> <moldb-inchikey>MPLTWYHQIPZIFP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">286.0346887</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM282546</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>13-ethyl-14-thia-8,11,12,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-10-thione</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>Pyrrolopyrimidines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0238452</sync-id> <structure-inchikey>MPLTWYHQIPZIFP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000018000800040000100000000002000000000000001000000000000000402000000000000000000002000000028000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000080000000000000000000000000300002000000000001000000000000040000000800000200000000000000000000100000000000200000000000010000000000000040000080000000002000000000000000000000000002000000000042000000000000000000000000000000000040800004200000001000100000000000001000040000000000400000000080000000000000080000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`������@(������@(������@(������@(�������(������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@8�������@(������@(������@(��������������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">2026-09-19T05:00:15Z</structure-indexed-at> </compound>