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4-(Trifluoromethyl)pyrimidine-2-thiol

View entire compound with spectra: 6 NMR, and 1 FTIR

4-(Trifluoromethyl)pyrimidine-2-thiol
SpectraBase Compound ID Esm6pr3LVOi
InChI InChI=1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChIKey HDGJASCXBNRLGA-UHFFFAOYSA-N
Mol Weight 180.15 g/mol
Molecular Formula C5H3F3N2S
Exact Mass 179.996904 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZpSqlWXZ3F
Name 4-(Trifluoromethyl)pyrimidine-2-thiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 407682
CAS Registry Number 136547-17-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H3F3N2S
InChI InChI=1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
InChIKey HDGJASCXBNRLGA-UHFFFAOYSA-N
Observed nucleus 13C
Purity 96%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008960