{"Abbreviation":"","Aliases":["5-sec-Butyl-5-ethyl-2-thiobarbituric acid","Thibutabarbital","5-Ethyl-5-(1-methylpropyl)-2-thiobarbituric acid","5-Sec-butyl-5-ethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione","5-Ethyldihydro-5-(1-methylpropyl)-2-thioxo-4,6(1h,5h)-pyrimidinedione","218-260-0","5-ethyl-5-(1-methylpropyl)-2-thiobarbiturate, sodium salt","Inactin hydrate","BARBITURIC ACID, 5-sec-BUTYL-5-ETHYL-2-THIO-","4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylpropyl)-2-thioxo-","4,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylpropyl)-2-thioxo-","PXB96547","5-(sec-Butyl)-5-ethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione","FT28222","5-s-butyl-5-ethyl-2-thiobarbituric acid","5-(Butan-2-yl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione","5-Ethyldihydro-5-(1-methylpropyl)-2-thioxo-4,6(1H,5H)pyrimidinedione;5-sec-butyl-5-ethyl-2-thiobarbituric acid;Thibutabarbital"],"CAS":"2095-57-0","ChemicalClasses":["thiobarbiturate"],"Chirality":"unknown","EINECS":"218-260-0","EliminationHalfLife":"","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"218-260-0","Formating":[],"HMDB ID":"HMDB0259004","HeavyAtomCount":15,"IUPACName":"5-butan-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione","InChI":"InChI=1S/C10H16N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)","InChIKey":"IDELNEDBPWKHGK-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e10\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003eS","MolecularWeight":"228.31 g/mol","Opticalactivity":"( + / - )","PubChemId":3032373,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Thiobutabarbital","Name":"Thiobutabarbital","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q906220","Name":"Thiobutabarbital","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/3032373","Name":"Thiobutabarbital","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=2095-57-0","Name":"Thiobutabarbital","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0259004","Name":"Thiobutabarbital","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/2N0251U7JH","Name":"Thiobutabarbital","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID90871862","Name":"Thiobutabarbital","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 3032373, Thiobutabarbital. Accessed July 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/3032373\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/3032373\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Thiobutabarbital. UNII: 2N0251U7JH. Global Substance Registration System. Accessed July 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2N0251U7JH\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/2N0251U7JH\u003c/a\u003e"],"SMILES":"CCC(C)C1(C(=O)NC(=S)NC1=O)CC","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[{"Aliases":null,"PubChemId":null,"SMILES":"CC[C@H](C)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 58.437 87.535\"\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 0h59v88H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m43.605 1.053-9.799 11.673M33.806 12.726l5.209 14.322\" class=\"bond\"/\u003e\u003cg 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fill=\"#ff0d0d\" stroke=\"none\" d=\"M57.877 38.726q0 .756-.256 1.327-.256.566-.756.881t-1.244.316q-.756 0-1.262-.316-.506-.315-.756-.887-.244-.571-.244-1.333 0-.75.244-1.31.25-.566.756-.881t1.274-.316q.732 0 1.232.316.5.309.756.875t.256 1.328m-3.863 0q0 .922.387 1.458.393.53 1.22.53.84 0 1.221-.53.387-.536.387-1.458 0-.929-.387-1.453-.381-.524-1.209-.524-.833 0-1.226.524t-.393 1.453\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m16.022 57.739-.002-5.699M16.022 57.739l-.002-5.699M19.177 63.41l5.025 2.904M19.177 63.41l5.025 2.904M39.272 63.418l-5.023 2.899M42.424 57.747l-.002-5.699\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"(+)-Thiobutabarbital","UNII":null},{"Aliases":null,"PubChemId":null,"SMILES":"CC[C@@H](C)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 58.437 87.535\"\u003e\u003crect width=\"100%\" height=\"100%\" 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