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6-Aza-2-thiothymine

View entire compound with spectra: 6 NMR, 3 FTIR, 1 Raman, 3 UV-Vis, and 2 MS (GC)

6-Aza-2-thiothymine
SpectraBase Compound ID 68BWA5xNghX
InChI InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKey NKOPQOSBROLOFP-UHFFFAOYSA-N
Mol Weight 143.16 g/mol
Molecular Formula C4H5N3OS
Exact Mass 143.015333 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID AFJzPsKCrVW
Name 6-Aza-2-thiothymine
Source of Sample Aldrich
Catalog Number 275514
CAS Registry Number 615-76-9
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3OS
InChI InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
InChIKey NKOPQOSBROLOFP-UHFFFAOYSA-N
Purity 99%
Synonyms 2-Thio-6-azathymine; 3,4-Dihydro-6-methyl-3-thioxo-1,2,4-triazin-5(2H)-one
Wiley ID SIAL_ATR-IR_013574