Thiohexital

5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Also Known As: Thiohexital|Lilly 22113|Lilly22113|RAC THIOHEXITAL|5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione|LY 22113|(+-)-5-Allyl-5-(1-methyl-2-pentynyl)-2-thiobarbituric acid|4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-2-thioxo-, (+-)-|5-allyl-5-(hex-3-yn-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|BARBITURIC ACID, 5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIO-, (+-)-|5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-|DL-5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIOBARBITURIC ACID|(+/-)-5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIOBARBITURIC ACID|Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (.+.)-|5-(Hex-3-yn-2-yl)-4,6-dihydroxy-5-(prop-2-en-1-yl)pyrimidine-2(5H)-thione|BARBITURIC ACID, 5-ALLYL-5-(1-METHYL-2-PENTYNYL)-2-THIO-, (+/-)-|4,6(1H,5H)-PYRIMIDINEDIONE, DIHYDRO-5-(1-METHYL-2-PENTYNYL)-5-(2-PROPENYL)-2-THIOXO-|4,6(1H,5H)-PYRIMIDINEDIONE, DIHYDRO-5-(1-METHYL-2-PENTYNYL)-5-(2-PROPENYL)-2-THIOXO-, (+/-)-|4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-2-thioxo-, (.+.)-

Molecular Formula	C13H16N2O2S
Molecular Weight	264.09326 g/mol
LogP	1.1293
Topological Polar Surface Area	58.2 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	264.09326
Monoisotopic Mass	264.09326
Heavy Atoms	18
Complexity	439.34705

Chemical Identifiers

CAS Number	7651-40-3
SMILES	CCC#CC(C)C1(C(=O)NC(=S)NC1=O)CC=C