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2,6-Diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile
SpectraBase Compound ID KW5gB4Bgy4y
InChI InChI=1S/C13H9IN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)19-13(18)9(11)6-16/h1-4,11H,17-18H2
InChIKey GHKYURMIPQGZFE-UHFFFAOYSA-N
Mol Weight 380.21 g/mol
Molecular Formula C13H9IN4S
Exact Mass 379.959262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbbOEgnPzHD
Name 2,6-Diamino-4-(2-iodophenyl)-4H-thiopyran-3,5-dicarbonitrile
CAS Registry Number 202405-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9IN4S
InChI InChI=1S/C13H9IN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)19-13(18)9(11)6-16/h1-4,11H,17-18H2
InChIKey GHKYURMIPQGZFE-UHFFFAOYSA-N
Molecular Weight 380.207 g/mol
SMILES NC=1SC(=C(C(C1C#N)c1c(I)cccc1)C#N)N
SPLASH splash10-0fa9-4911000000-92db02d1e5728d14dba1
Source of Spectrum AD-0-2532-0
Synonyms 2,6-bis(azanyl)-4-(2-iodanylphenyl)-4H-thiopyran-3,5-dicarbonitrile 4H-Thiopyrane-3,5-dicarbonitrile, 2,6-diamino-4-(2-iodophenyl)-
Wiley ID 1425391