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CHEBI:61485 - thiopental(1−)

ChEBI IDCHEBI:61485
ChEBI Namethiopental(1−)
Stars
ASCII Namethiopental(1-)
DefinitionA thiolate anion resulting from the removal of a proton from one of the nitrogens of thiopental and tautomerisation.
Last Modified24 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H17N2O2S
Net Charge-1
Average Mass241.336
Monoisotopic Mass241.10162
SMILESCCCC(C)C1(CC)C(=O)N=C([S-])NC1=O
InChIInChI=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)/p-1
InChIKeyIUJDSEJGGMCXSG-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
thiopental(1−) (CHEBI:61485) is a thiolate anion (CHEBI:50539)
thiopental(1−) (CHEBI:61485) is conjugate base of thiopental (CHEBI:102166)
Incoming Relation(s)
thiopental sodium (CHEBI:9561) has part thiopental(1−) (CHEBI:61485)
thiopental (CHEBI:102166) is conjugate acid of thiopental(1−) (CHEBI:61485)
IUPAC Name 
5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Synonyms  Source
thiopentone(1−)ChEBI
pentothiobarbital(1−)ChEBI
thiopentobarbitone(1−)ChEBI