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5-Trifluoromethylmercapto-cytosine
SpectraBase Compound ID 6OCI7IHaGOL
InChI InChI=1S/C5H4F3N3OS/c6-5(7,8)13-2-1-10-4(12)11-3(2)9/h1H,(H3,9,10,11,12)
InChIKey RYBHLVWOFZUMLH-UHFFFAOYSA-N
Mol Weight 211.16 g/mol
Molecular Formula C5H4F3N3OS
Exact Mass 211.002717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4P2rNtgkDK
Name 5-Trifluoromethylmercapto-cytosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4F3N3OS
InChI InChI=1S/C5H4F3N3OS/c6-5(7,8)13-2-1-10-4(12)11-3(2)9/h1H,(H3,9,10,11,12)
InChIKey RYBHLVWOFZUMLH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19721050536
Molecular Weight 211.162 g/mol
SMILES Oc1ncc(c(n1)N)SC(F)(F)F
SPLASH splash10-02bf-9440000000-c433ab52515e00898f1b
Source of Spectrum K-105-1772-8
Synonyms 4-Amino-5-((trifluoromethyl)thio)pyrimidin-2-ol
Wiley ID 1794724