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6-Thioxanthine

View entire compound with spectra: 3 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

6-Thioxanthine
SpectraBase Compound ID 7Rq4v4MEZzO
InChI InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChIKey RJOXFJDOUQJOMQ-UHFFFAOYSA-N
Mol Weight 168.17 g/mol
Molecular Formula C5H4N4OS
Exact Mass 168.010582 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2W61IBzbStu
Name 6-Thioxanthine
Source of Sample Aldrich
Catalog Number 852570
CAS Registry Number 2002-59-7
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N4OS
InChI InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChIKey RJOXFJDOUQJOMQ-UHFFFAOYSA-N
Purity 98%
Synonyms 2-Hydroxy-6-mercaptopurine 6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one
Wiley ID SIAL_ATR-IR_021955