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6-Amino-2-sulfanyl-4-pyrimidinol hydrate

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 3 UV-Vis

6-Amino-2-sulfanyl-4-pyrimidinol hydrate
SpectraBase Compound ID JghKYSyDPgx
InChI InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2
InChIKey BWYGMIYEADAIGW-UHFFFAOYSA-N
Mol Weight 161.179 g/mol
Molecular Formula C4H7N3O2S
Exact Mass 161.025898 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8H4CXS3Ifbh
Name 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate
Source of Sample Aldrich
Catalog Number A57406
CAS Registry Number 65802-56-4
Classification 6-membered aromatic heterocycles
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7N3O2S
InChI InChI=1S/C4H5N3OS.H2O/c5-2-1-3(8)7-4(9)6-2;/h1H,(H4,5,6,7,8,9);1H2
InChIKey BWYGMIYEADAIGW-UHFFFAOYSA-N
Purity 98%
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 6-Amino-2-mercapto-4-pyrimidinol monohydrate; 6-Amino-2-thiouracil monohydrate
Technique Mull
Wiley ID SIAL_FTIR_1_8708