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3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide
SpectraBase Compound ID 9RWx7mBTxxg
InChI InChI=1S/C11H10N2O2S/c12-9(16)5-6-13-10(14)7-3-1-2-4-8(7)11(13)15/h1-4H,5-6H2,(H2,12,16)
InChIKey DJQBXHATCJIPIV-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HzgqrTHyMm
Name 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanethioamide
CAS Registry Number 104152-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c12-9(16)5-6-13-10(14)7-3-1-2-4-8(7)11(13)15/h1-4H,5-6H2,(H2,12,16)
InChIKey DJQBXHATCJIPIV-UHFFFAOYSA-N
Molecular Weight 234.273 g/mol
SMILES NC(CCN1C(c2ccccc2C1=O)=O)=S
SPLASH splash10-0h00-9610000000-42aa9af228fa331959f7
Synonyms 3-(1,3-dioxo-2-isoindolyl)propanethioamide 3-(1,3-dioxoisoindol-2-yl)propanethioamide 3-(1,3-dioxoisoindolin-2-yl)propanethioamide 3-Phthalimidothiopropionamide 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioamide Propanethioamide, 3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
Wiley ID 1457528