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CHEBI:61485 - thiopental(1−)
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ChEBI Name
thiopental(1−)
ChEBI ID
CHEBI:61485
ChEBI ASCII Name
thiopental(1-)
Definition
A thiolate anion resulting from the removal of a proton from one of the nitrogens of thiopental and tautomerisation.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H17N2O2S
Net Charge
-1
Average Mass
241.33000
Monoisotopic Mass
241.10162
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)
/p-
1
InChIKey
IUJDSEJGGMCXSG-UHFFFAOYSA-M
SMILES
CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O
ChEBI Ontology
Outgoing
thiopental(1−) (
CHEBI:61485
)
is a
thiolate anion (
CHEBI:50539
)
thiopental(1−) (
CHEBI:61485
)
is conjugate base of
thiopental (
CHEBI:102166
)
Incoming
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
Sources
pentothiobarbital(1−)
ChEBI
thiopentobarbitone(1−)
ChEBI
thiopentone(1−)
ChEBI
Last Modified
24 February 2011