CHEBI:6048 - isoprothiolane sulfoxide

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ChEBI Name isoprothiolane sulfoxide
ChEBI ID CHEBI:6048
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H18O5S2
Net Charge 0
Average Mass 306.40032
Monoisotopic Mass 306.05957
InChI InChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3
InChIKey ZFQQZUBSEINSSR-UHFFFAOYSA-N
SMILES CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1=O
ChEBI Ontology
Outgoing isoprothiolane sulfoxide (CHEBI:6048) has functional parent isoprothiolane (CHEBI:6047)
isoprothiolane sulfoxide (CHEBI:6048) is a isopropyl ester (CHEBI:35725)
isoprothiolane sulfoxide (CHEBI:6048) is a sulfoxide (CHEBI:22063)
IUPAC Name
di(propan-2-yl) (1-oxo-1λ4,3-dithiolan-2-ylidene)propanedioate
Synonyms Sources
2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate IUPAC
bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide ChemIDplus
diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate ChEBI
Isoprothiolane sulfoxide KEGG COMPOUND
Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide KEGG COMPOUND
Manual Xref Database
C11112 KEGG COMPOUND
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Registry Numbers Types Sources
4321780 Beilstein Registry Number Beilstein
52303-69-2 CAS Registry Number ChemIDplus
Last Modified
09 March 2018