Thiopental
5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular Identity
Thiopental
5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
PubChem CID: 3000715
Thiopental is a barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as an anticonvulsant, a xenobiotic, a sedative, an intravenous anaesthetic, an environmental contaminant and a drug allergen. It is functionally related to a 2-thiobarbituric acid. It is a conjugate acid of a thiopental(1-).
2D Structure
Properties
C11H18N2O2S
Molecular Formula
242.34
Molecular Weight
g/mol
242.1089
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
90.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
308
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CCIsomeric SMILES
SMILES: CCCC(C)C1(C(=O)NC(=S)NC1=O)CCSynonyms(20)
thiopentalPentothiobarbitalThiomebumalThiopentoneThiopentobarbitalPenthiobarbitalThionembutalThiopentobarbitone76-75-5Thiopentobarbituric acidThiothalTiopentale(+-)-ThiopentalThiopental ciii2-Thio-5-ethyl-5-sec-pentylbarbituric acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Thiopental
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