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4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-
SpectraBase Compound ID kXHEuJiWQH
InChI InChI=1S/C5H4F3N3S/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChIKey VPMSWQPUSXNXFR-UHFFFAOYSA-N
Mol Weight 195.16 g/mol
Molecular Formula C5H4F3N3S
Exact Mass 195.007803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID grQO49Axdb
Name 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-
CAS Registry Number 54845-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4F3N3S
InChI InChI=1S/C5H4F3N3S/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChIKey VPMSWQPUSXNXFR-UHFFFAOYSA-N
Molecular Weight 195.163 g/mol
SMILES Nc1nc(cc(n1)S)C(F)(F)F
SPLASH splash10-0005-6900000000-1567cdeb305618756bb2
Source of Spectrum TA-0-110-0
Synonyms 2-Amino-6-(trifluoromethyl)-4-pyrimidinethiol 2-Amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione 2-Azanyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione
Wiley ID 21999