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3-[(2-benzothiazolyl)thio]propionic acid
SpectraBase Compound ID Eiq6FTNHNte
InChI InChI=1S/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)
InChIKey DXSBAOMLHPFLMW-UHFFFAOYSA-N
Mol Weight 239.31 g/mol
Molecular Formula C10H9NO2S2
Exact Mass 239.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmtWNqVLyeh
Name Propanoic acid, 3-(2-benzothiazolylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2S2
InChI InChI=1S/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)
InChIKey DXSBAOMLHPFLMW-UHFFFAOYSA-N
Molecular Weight 239.307 g/mol
SMILES OC(=O)CCSc1nc2ccccc2s1
SPLASH splash10-00ko-2920000000-bc08e7151a45eb7830c3
Source of Spectrum JX-2015-1-233
Synonyms 3-(Benzo[d]thiazol-2-ylthio)propanoic acid 3-(1,3-Benzothiazol-2-ylsulfanyl)propanoic acid 3-(1,3-Benzothiazol-2-ylthio)propanoic acid
Wiley ID 1721081