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4,6-Diamino-5-chloro-3-cyano-2-(methylthio)pyridine
SpectraBase Compound ID 1NNX8b8zbdn
InChI InChI=1S/C7H7ClN4S/c1-13-7-3(2-9)5(10)4(8)6(11)12-7/h1H3,(H4,10,11,12)
InChIKey CDUKHKXYWZSBEX-UHFFFAOYSA-N
Mol Weight 214.67 g/mol
Molecular Formula C7H7ClN4S
Exact Mass 214.007995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExrmuTd3fIY
Name 4,6-Diamino-5-chloro-3-cyano-2-(methylthio)pyridine
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7ClN4S
InChI InChI=1S/C7H7ClN4S/c1-13-7-3(2-9)5(10)4(8)6(11)12-7/h1H3,(H4,10,11,12)
InChIKey CDUKHKXYWZSBEX-UHFFFAOYSA-N
Instrument Name Micromass 7070 E or Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2649
Molecular Weight 214.674 g/mol
SMILES Nc1nc(c(c(c1Cl)N)C#N)SC
SPLASH splash10-03yi-9650000000-ed6fc1e529c0ac8bb0e1
Source of Spectrum Y-54-SM4-5
Wiley ID 1877972