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6-Methyl-4-phenyl-3-cyanopyridine-2(1H)-thione
SpectraBase Compound ID 3kCpw1EKwIT
InChI InChI=1S/C13H10N2S/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)
InChIKey SOTKVCNAYQJPMJ-UHFFFAOYSA-N
Mol Weight 226.3 g/mol
Molecular Formula C13H10N2S
Exact Mass 226.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6GM8f5Hydw
Name 6-Methyl-4-phenyl-3-cyanopyridine-2(1H)-thione
Alternate Name(s) 6-Methyl-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile 6-Methyl-4-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile 6-Methyl-4-phenyl-2-thioxo-1H-pyridine-3-carbonitrile
CAS Registry Number 78564-23-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2S
InChI InChI=1S/C13H10N2S/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(16)15-9/h2-7H,1H3,(H,15,16)
InChIKey SOTKVCNAYQJPMJ-UHFFFAOYSA-N
Molecular Weight 226.297 g/mol
SMILES N1C(=CC(=C(C1=S)C#N)c1ccccc1)C
SPLASH splash10-004i-0390000000-4b559ecbbeab1b137d6a
Source of Spectrum F9-1986-157-0
Wiley ID 1565688