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5-amino-1,3,4-thiadiazle-2-acetic acid, ethyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 MS (GC)

5-amino-1,3,4-thiadiazle-2-acetic acid, ethyl ester
SpectraBase Compound ID 41YUBng9gaS
InChI InChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-9-6(7)12-4/h2-3H2,1H3,(H2,7,9)
InChIKey AHRAVYTUHNLCHS-UHFFFAOYSA-N
Mol Weight 187.22 g/mol
Molecular Formula C6H9N3O2S
Exact Mass 187.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aKDalj70FL
Name (5-Amino-[1,3,4]thiadiazol-2-yl)acetic acid, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9N3O2S
InChI InChI=1S/C6H9N3O2S/c1-2-11-5(10)3-4-8-9-6(7)12-4/h2-3H2,1H3,(H2,7,9)
InChIKey AHRAVYTUHNLCHS-UHFFFAOYSA-N
Molecular Weight 187.217 g/mol
SMILES Nc1sc(nn1)CC(=O)OCC
SPLASH splash10-03di-9500000000-413df053c5b0966d0f3c
Synonyms 2-(5-amino-1,3,4-thiadiazol-2-yl)acetic acid ethyl ester Ethyl (5-amino-1,3,4-thiadiazol-2-yl)acetate Ethyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate Ethyl 2-(5-azanyl-1,3,4-thiadiazol-2-yl)ethanoate
Wiley ID 1439256