2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

CAS Registry Number®

125240-16-6
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CAS Name

2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

Molecular Formula

C13H9FN4S

Molecular Mass

272.30

Cite this Page

2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125240-16-6 (retrieved 2024-06-23) (CAS RN: 125240-16-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-172.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H9FN4S/c14-8-3-1-7(2-4-8)11-9(5-15)12(17)19-13(18)10(11)6-16/h1-4,11H,17-18H2

InChIKey

InChIKey=COKULEMWHPDYJD-UHFFFAOYSA-N

SMILES

C(#N)C=1C(C(C#N)=C(N)SC1N)C2=CC=C(F)C=C2

Canonical SMILES

N#CC1=C(SC(N)=C(C#N)C1C2=CC=C(F)C=C2)N

Other Names for this Substance

  • 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-fluorophenyl)-
  • 2,6-Diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile

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