{"Abbreviation":"","Aliases":["Thialbarbitone","Thialpenton","Kemithal","Thiohexallymalum","Thialbarbitalum","Tialbarbital","C13h16n2o2s","5-Allyl-5-(2-cyclohexen-1-yl)-2-thiobarbituric acid","Kemithal; Thialbarbitone; Thialpenton","4,6(1H,5H)-Pyrimidinedione, 5-(2-cyclohexen-1-yl)dihydro-5-(2-propenyl)-2-thioxo-","Barbituric acid, 5-allyl-5-(2-cyclohexen-1-yl)-2-thio-","Tialbarbitale","Thiohexallymal","5-Δ(sup 2:3)-Cyclohexenyl-5-allyl-2-thiobarbituric acid","5-Δ(2:3)-Cyclohexenyl-5-allyl-2-thiobarbituric acid","5-Allyl-5-(2-cyclohexen-1-yl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione"],"CAS":"467-36-7","ChEBI":"CHEBI:135092","ChEMBL":"CHEMBL2104657","ChemicalClasses":["thiobarbiturate"],"Chirality":"racemic","EINECS":"207-390-3","EliminationHalfLife":"","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"207-390-3","Formating":[],"HeavyAtomCount":18,"IUPACName":"5-cyclohex-2-en-1-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione","InChI":"InChI=1S/C13H16N2O2S/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17/h2,4,6,9H,1,3,5,7-8H2,(H2,14,15,16,17,18)","InChIKey":"PXLVRFQEBVNJOH-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e13\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003eS","MolecularWeight":"264.35 g/mol","Opticalactivity":"( + / - )","PubChemId":3032306,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Thialbarbital","Name":"Thialbarbital","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q409541","Name":"Thialbarbital","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/3032306","Name":"Thialbarbital","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2104657","Name":"Thialbarbital","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135092","Name":"Thialbarbital","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=467-36-7","Name":"Thialbarbital","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/ENV72C33QD","Name":"Thialbarbital","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID90861960","Name":"Thialbarbital","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 3032306, Thialbarbital. Accessed July 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/3032306\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/3032306\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Thialbarbital. UNII: ENV72C33QD. Global Substance Registration System. Accessed July 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ENV72C33QD\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/ENV72C33QD\u003c/a\u003e"],"SMILES":"C=CCC1(C(=O)NC(=S)NC1=O)C2CCCC=C2","SaltData":[{"AcidCount":1,"AmineCount":1,"Formula":"[Na+]","Name":"sodium","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 88.711 87.546\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h89v88H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m40.248 12.736 9.799-11.672M43.021 13.226l8.893-10.594\"/\u003e\u003c/g\u003e\u003cpath d=\"m40.248 12.736 5.21 14.322M45.458 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fill=\"#ff0d0d\" stroke=\"none\" d=\"M64.32 38.736q0 .756-.256 1.328-.256.565-.756.881t-1.245.316q-.756 0-1.262-.316t-.756-.887q-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.881t1.274-.316q.733 0 1.233.316.5.309.756.875.256.565.256 1.327m-3.864 0q0 .923.387 1.459.393.53 1.22.53.84 0 1.221-.53.387-.536.387-1.459 0-.928-.387-1.452-.381-.524-1.209-.524-.833 0-1.226.524t-.393 1.452\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m22.464 57.749-.002-5.699M22.464 57.749l-.002-5.699M25.619 63.421l5.025 2.904M25.619 63.421l5.025 2.904M45.714 63.428l-5.023 2.9M48.866 57.758l-.002-5.699\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Thialbarbital","UNII":"ENV72C33QD","Wikidata":"Q409541","Wikipedia":"Thialbarbital","XLogP":2.4}