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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EB4uEKCoZvH
Name 6-Aza-2-thiothymine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 275514
CAS Registry Number 615-76-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Thio-6-azathymine; 3,4-Dihydro-6-methyl-3-thioxo-1,2,4-triazin-5(2H)-one
Wiley ID SIAL_1HNMR_005007