283995 <common-name>1-[(3r,6s)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone</common-name> <description>1-[(3r,6s)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C12H14N2O2S and an average molecular weight of 250.32 g/mol.</description> <cas>103900-00-1</cas> <pubchem-id>24840759</pubchem-id> <chemical-formula>C12H14N2O2S</chemical-formula> <weight>250.32</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">2026-08-27T19:36:15Z</created-at> <updated-at type="dateTime">2026-08-27T19:36:15Z</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>CC1C(=S)NC(N(O1)C(=O)C)C2=CC=CC=C2</moldb-smiles> <moldb-formula>C12H14N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C12H14N2O2S/c1-8-12(17)13-11(14(16-8)9(2)15)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,13,17)/t8-,11+/m0/s1</moldb-inchi> <moldb-inchikey>XXYYJBWIYFIEIF-GZMMTYOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">250.0775989</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM279888</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>1-[(3r,6s)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0235895</sync-id> <structure-inchikey>XXYYJBWIYFIEIF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000040000100000008000000000000000000000000000000000000040000400000000000000004000000000000020000000000000000000000800000000000000000000000000020800000000000000000000000000000000000010000000000000000080000000000000100000000000200000000500000000040000000800000200000000000000000000100000000000000000001000008040000000000000000080000000000040000000000000000000000000000000000100000000080000000000001000000000000040000000200000000000000000000000000000041000000000400000000000000000000000800000000</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�B������������� ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:25Z</structure-indexed-at> </compound>