{"Abbreviation":"","Aliases":["5-Ethyl-5-(1-ethylbutyl)-2-thiobarbituric acid","Thiotetramalum","Tiotetrabarbital"],"CAS":"467-38-9","ChEMBL":"CHEMBL2107526","ChemicalClasses":["thiobarbiturate"],"Chirality":"racemic","EliminationHalfLife":"","Erowid Experience Reports":[],"Esters":[],"Formating":[],"HeavyAtomCount":17,"IUPACName":"5-ethyl-5-hexan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione","InChI":"InChI=1S/C12H20N2O2S/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)","InChIKey":"SSWATJQIZBUQQZ-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e12\u003c/sub\u003eH\u003csub\u003e20\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003eS","MolecularWeight":"256.37 g/mol","Opticalactivity":"( + / - )","PubChemId":3083570,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Thiotetrabarbital","Name":"Thiotetrabarbital","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q7784705","Name":"Thiotetrabarbital","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/3083570","Name":"Thiotetrabarbital","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2107526","Name":"Thiotetrabarbital","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=467-38-9","Name":"Thiotetrabarbital","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/1P93TO196Z","Name":"Thiotetrabarbital","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID50861961","Name":"Thiotetrabarbital","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 3083570, Thiotetrabarbital. Accessed July 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/3083570\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/3083570\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Thiotetrabarbital. UNII: 1P93TO196Z. Global Substance Registration System. Accessed July 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1P93TO196Z\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/1P93TO196Z\u003c/a\u003e"],"SMILES":"CCCC(CC)C1(C(=O)NC(=S)NC1=O)CC","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[{"Aliases":null,"PubChemId":null,"SMILES":"CCC[C@H](CC)C1(CC)C(=O)NC(=S)NC1=O","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 64.875 101.813\"\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 0h65v102H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m38.395 1.009 5.21 14.322M43.605 15.331l-9.799 11.672\" class=\"bond\"/\u003e\u003cg 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78.324h-.619v-2.286H45.54v2.286h-.613v-4.899h.613v2.071h2.513v-2.071h.619z\"/\u003e\u003c/g\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M57.877 53.003q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.31.25-.565.756-.881.506-.315 1.274-.315.732 0 1.232.315.5.31.756.875.256.566.256 1.328m-3.863 0q0 .923.387 1.459.393.529 1.22.529.84 0 1.221-.529.387-.536.387-1.459 0-.929-.387-1.453-.381-.523-1.209-.523-.833 0-1.226.523-.393.524-.393 1.453\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m16.022 72.016-.002-5.699M16.022 72.016l-.002-5.699M19.177 77.688l5.025 2.903M19.177 77.688l5.025 2.903M39.272 77.695l-5.023 2.899M42.424 72.025l-.002-5.699\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"(+)-Thiotetrabarbital","UNII":null},{"Aliases":null,"PubChemId":null,"SMILES":"CCC[C@@H](CC)C1(CC)C(=O)NC(=S)NC1=O","Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 64.875 101.813\"\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 0h65v102H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m38.395 1.009 5.21 14.322M43.605 15.331l-9.799 11.672\" class=\"bond\"/\u003e\u003cpath fill=\"#000\" stroke=\"none\" d=\"m38.687 41.445.657-.24-4.006-16.571-1.67 1.989-1.462 1.742z\" class=\"bond\"/\u003e\u003cpath d=\"m39.015 41.325 15.008 2.65M54.023 43.975l9.799-11.673M39.015 41.325l-9.798 11.673M29.217 52.998l-9.795-11.676M19.422 41.322 4.413 43.967M29.217 52.998l-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M16.019 62.025 5.486 55.946M17.238 59.914l-10.533-6.08\"/\u003e\u003cpath 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1.459.393.529 1.22.529.84 0 1.221-.529.387-.536.387-1.459 0-.929-.387-1.453-.381-.523-1.209-.523-.833 0-1.226.523-.393.524-.393 1.453\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m16.022 72.016-.002-5.699M16.022 72.016l-.002-5.699M19.177 77.688l5.025 2.903M19.177 77.688l5.025 2.903M39.272 77.695l-5.023 2.899M42.424 72.025l-.002-5.699\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Thiotetrabarbital","UNII":"1P93TO196Z","Wikidata":"Q7784705","Wikipedia":"Thiotetrabarbital","XLogP":3.4}