{"Abbreviation":"","Aliases":["Certodorm","Sedothyron","Thiobaral","Thyreosedine","Ibition","2-Thiobarbital","Thiobarbitone","Barbituric acid, 5,5-diethyl-2-thio-","5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione","201-020-4","Thiothyr","5,5-Diethyl-2-thiobarbituric acid","Diethylthiobarbituric acid","GO 1066","4,6(1H,5H)-Pyrimidinedione, 5,5-diethyldihydro-2-thioxo-","5,5-Diethylthiobarbituric acid","CBDivE_001415","AAA07732","Barbituric acid,5-diethyl-2-thio-","5,5,-Diethyl-2-thioxodihydropyrimidine-4,6-dione","Sr-01000196312","Sr-01000196312-1","4,5H)-Pyrimidinedione, 5,5-diethyldihydro-2-thioxo-","4,6(1H,5H)-Pyrimidinedione, 5,5-diethyldihydro-2-thioxo-(9CI)"],"CAS":"77-32-7","ChEMBL":"CHEMBL4792400","ChemicalClasses":["thiobarbiturate"],"Chirality":"achiral","EINECS":"201-020-4","EliminationHalfLife":"","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"201-020-4","Formating":[],"HMDB ID":"HMDB0259001","HeavyAtomCount":13,"IUPACName":"5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione","InChI":"InChI=1S/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)","InChIKey":"QGVNJRROSLYGKF-UHFFFAOYSA-N","MolecularFormula":"C\u003csub\u003e8\u003c/sub\u003eH\u003csub\u003e12\u003c/sub\u003eN\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003eS","MolecularWeight":"200.26 g/mol","PubChemId":667509,"RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Thiobarbital","Name":"Thiobarbital","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q2421278","Name":"Thiobarbital","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/667509","Name":"Thiobarbital","Sub":false}]},{"Name":"ChEMBL","Urls":[{"Link":"https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4792400","Name":"Thiobarbital","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=77-32-7","Name":"Thiobarbital","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0259001","Name":"Thiobarbital","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/H4FNF051KS","Name":"Thiobarbital","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID40227810","Name":"Thiobarbital","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 667509, Thiobarbital. Accessed July 13, 2025. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/667509\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/667509\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Thiobarbital. UNII: H4FNF051KS. Global Substance Registration System. Accessed July 13, 2025. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H4FNF051KS\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/H4FNF051KS\u003c/a\u003e"],"SMILES":"CCC1(C(=O)NC(=S)NC1=O)CC","SaltData":[],"Salts":[],"Scheduling":[],"StereoisomerData":[],"Stereoisomers":["(+)-Thiobarbital","(-)-Thiobarbital"],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 58.437 75.82\"\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 0h59v76H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"m33.806 1.01 5.209 14.322M39.015 15.332l-9.798 11.673M29.217 27.005l-13.198 7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m16.019 36.033-10.533-6.08M17.238 33.921l-10.533-6.08\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m5.486 29.953 5.266 3.04M6.705 27.841l5.266 3.04\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m16.019 34.625.003 11.398M19.177 51.695l10.05 5.807\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m30.446 56.798-.002 12.025M28.008 56.797l-.002 12.026\"/\u003e\u003cpath stroke=\"#c6c62c\" d=\"m30.444 68.823.001-6.013M28.006 68.823l.001-6.013\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m29.227 57.502 10.045-5.8M42.424 46.032l-.004-11.399M29.217 27.005l13.203 7.628\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m41.201 33.929 10.527-6.078M42.42 36.041l10.527-6.078\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m51.728 27.851-5.263 3.039M52.947 29.963l-5.263 3.039\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m29.217 27.005-9.795-11.676M19.422 15.329l5.214-14.32\" class=\"bond\"/\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M5.078 27.004q0 .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 .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\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M17.964 52.323h-.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 52.323h-.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 73.879q0 .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-.185-.298-.077-.625-.077-.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 52.331h-.721l-2.619-4.066h-.03l.03.596q.024.357.024.732v2.738h-.566v-4.899h.715l2.607 4.054h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.768h.578zM48.672 52.331h-.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 27.01q0 .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 1.232.315.5.31.756.876.256.565.256 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=\"#3050f8\" d=\"m16.022 46.023-.002-5.699M16.022 46.023l-.002-5.699M19.177 51.695l5.025 2.904M19.177 51.695l5.025 2.904M39.272 51.702l-5.023 2.9M42.424 46.032l-.002-5.7\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Title":"Thiobarbital","UNII":"H4FNF051KS","Wikidata":"Q2421278","Wikipedia":"Thiobarbital","XLogP":1.5}