{"Abbreviation":"","Aliases":["Buthalitone","Thialbutone","5-Allyl-5-isobutyl-2-thiobarbituric acid","Dihydro-5-(2-methylpropyl)-5-(2-propen-1-yl)-2-thioxo-4,6(1h,5h)-pyrimidinedione","Buthalial","Baylinal","Barbituric acid, 5-allyl-5-isobutyl-2-thio-","Dihydro-5-(2-methylpropyl)-5-isopropyl-2-thioxopyrimidine-4,6(1H,5H)-dione","HY-U00057","CS-6707","5-Allyl-5-(2-methylpropyl)-2-thiobarbituric acid","4,6(1H,5H)-Pyrimidinedione, dihydro-5-(2-methylpropyl)-5-(2-propenyl)-3-thioxo-","5-(2-Methylpropyl)-5-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione","4,6(1H,5h)-pyrimidinedione, dihydro-5-(2-methylpropyl)-5-(2-propen-1-yl)-2-thioxo-","6-Hydroxy-5-(2-methylpropyl)-5-(prop-2-en-1-yl)-2-sulfanylidene-2,5-dihydropyrimidin-4(3H)-one"],"CAS":"468-65-5","ChEBI":"CHEBI:134980","ChEMBL":"CHEMBL2110937","ChemicalClasses":["thiobarbiturate"],"Chirality":"achiral","EliminationHalfLife":"","Erowid Experience Reports":[],"Esters":[],"Formating":[],"HeavyAtomCount":16,"IUPACName":"5-(2-methylpropyl)-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione","InChI":"InChI=1S/C11H16N2O2S/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)","InChIKey":"QHJOIAXHOQIPJT-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e11\u003c/sub\u003eH\u003csub\u003e16\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003eS","MolecularWeight":"240.32 g/mol","PubChemId":3032321,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Buthalital","Name":"Buthalital","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q27281988","Name":"Buthalital","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/3032321","Name":"Buthalital","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2110937","Name":"Buthalital","Sub":false}]},{"Name":"ChEBI","Urls":[{"Link":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134980","Name":"Buthalital","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=468-65-5","Name":"Buthalital","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/K5VBQ75636","Name":"Buthalital","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID50196942","Name":"Buthalital","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 3032321, Buthalital. Accessed July 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/3032321\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/3032321\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Buthalital. UNII: K5VBQ75636. Global Substance Registration System. Accessed July 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/K5VBQ75636\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/K5VBQ75636\u003c/a\u003e"],"SMILES":"CC(C)CC1(C(=O)NC(=S)NC1=O)CC=C","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Buthalital","(-)-Buthalital"],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 69.678 87.54\"\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 0h70v88H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"M68.624 18.877 58.826 30.55M58.826 30.55l5.209 14.322M58.826 30.55l-19.811-3.498M39.015 27.052l-9.798 11.673M29.217 38.725l-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m16.019 47.753-10.533-6.08M17.238 45.641l-10.533-6.08\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m5.486 41.673 5.266 3.04M6.705 39.561l5.266 3.04\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m16.019 46.345.003 11.398M19.177 63.415l10.05 5.807\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m30.446 68.518-.002 12.025M28.008 68.517l-.002 12.026\"/\u003e\u003cpath stroke=\"#c6c62c\" d=\"m30.444 80.543.001-6.012M28.006 80.543l.001-6.013\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m29.227 69.222 10.045-5.8M42.424 57.752l-.004-11.399M29.217 38.725l13.203 7.628\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m41.201 45.649 10.527-6.078M42.42 47.761l10.527-6.078\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m51.728 39.571-5.263 3.039M52.947 41.683l-5.263 3.039\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m29.217 38.725-9.795-11.676M19.422 27.049l5.214-14.32\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M24.636 12.729 14.841 1.053M21.863 13.217 12.973 2.62\"/\u003e\u003c/g\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M5.078 38.724q0 .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-.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 1.458.393.53 1.22.53.84 0 1.221-.53.387-.535.387-1.458 0-.929-.387-1.453-.381-.524-1.209-.524-.833 0-1.226.524t-.393 1.453\" class=\"atom\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M17.964 64.043h-.72l-2.619-4.066h-.03l.03.595q.023.357.023.732v2.739h-.565v-4.9h.714l2.608 4.054h.029l-.017-.327-.024-.476q-.006-.262-.006-.482v-2.769h.577zM13.521 64.043h-.619v-2.286H10.39v2.286h-.613v-4.9h.613v2.072h2.512v-2.072h.619z\"/\u003e\u003c/g\u003e\u003cpath fill=\"#c6c62c\" stroke=\"none\" d=\"M30.769 85.599q0 .648-.476 1.018-.47.363-1.268.363-.417 0-.768-.066-.345-.059-.578-.172v-.59q.244.113.608.203.369.089.762.089.547 0 .827-.214.28-.215.28-.578 0-.238-.107-.399-.101-.166-.352-.309-.25-.143-.696-.298-.625-.226-.947-.554-.315-.333-.315-.898 0-.393.196-.667.203-.28.554-.429.357-.155.816-.155.404 0 .738.078.339.071.613.196l-.197.53q-.25-.113-.547-.184-.298-.078-.625-.078-.459 0-.691.197-.232.196-.232.517 0 .245.101.411.107.167.34.298.232.125.631.28.428.154.726.339.297.179.452.435.155.25.155.637\" class=\"atom\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M44.366 64.051h-.721l-2.619-4.066h-.03l.03.596q.024.357.024.732v2.738h-.566v-4.899h.715l2.607 4.054h.03l-.018-.327-.024-.477q-.006-.262-.006-.482v-2.768h.578zM48.672 64.051h-.619v-2.286H45.54v2.286h-.613v-4.899h.613v2.072h2.513v-2.072h.619z\"/\u003e\u003c/g\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M57.877 38.73q0 .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-.75.244-1.309.25-.566.756-.882.506-.315 1.274-.315.732 0 1.232.315.5.31.756.876.256.565.256 1.327m-3.863 0q0 .923.387 1.459.393.529 1.22.529.84 0 1.221-.529.387-.536.387-1.459 0-.929-.387-1.452-.381-.524-1.209-.524-.833 0-1.226.524-.393.523-.393 1.452\" class=\"atom\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m61.343 37.47.087.241\" class=\"hi\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m16.022 57.743-.002-5.699M16.022 57.743l-.002-5.699M19.177 63.415l5.025 2.904M19.177 63.415l5.025 2.904M39.272 63.422l-5.023 2.9M42.424 57.752l-.002-5.699\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Buthalital","UNII":"K5VBQ75636","Wikidata":"Q27281988","Wikipedia":"Buthalital","XLogP":2.3}