chempirical

(±)-Thiopental

C11H18N2O2SCAS 76-75-5242.34 g/mol

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ONHSHNO

Properties

Molecular formula
C11H18N2O2S
Molar mass
242.34 g/mol
Exact mass
242.1089 Da
Melting point
158–159 °C
logP
3.03Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
4

Identifiers

CAS number
76-75-5
SMILES
CCCC(C)C1(CC)C(O)=NC(=S)N=C1O
InChIKey
IUJDSEJGGMCXSG-UHFFFAOYSA-N
InChI
InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

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Names and synonyms

16 names · show all
  • 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-
  • 5-Ethyldihydro-5-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
  • Intraval
  • Penthiobarbital
  • Thiomebumal
  • Thiopental
  • Thiopentone
  • Thiothal
  • 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid
  • Thiopentobarbital
  • 2-Thio-5-ethyl-5-sec-pentylbarbituric acid
  • Thiopentobarbituric acid
  • Pentothiobarbital
  • Thiopentobarbitone
  • Thionembutal

Work with (±)-Thiopental

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Pentobarbital76-74-469 % similar 1,3-Diethyl 2-ethyl-2-(1-methylbutyl)propanedioate76-72-245 % similar Pentobarbital sodium57-33-035 % similar Amobarbital57-43-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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