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4-Phenyl-5-Pyridin-4-Yl-4H-[1,2,4]Triazole-3-Thiol
[CAS# 16629-40-6]

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Identification
Name 4-Phenyl-5-Pyridin-4-Yl-4H-[1,2,4]Triazole-3-Thiol
Synonyms 4-Phenyl-5-(4-Pyridyl)-2H-1,2,4-Triazole-3-Thione; Zinc00158847; Bim-0025195.P001
Molecular Structure CAS#: 16629-40-6, 4-Phenyl-5-Pyridin-4-Yl-4H-[1,2,4]Triazole-3-Thiol
Molecular Formula C13H10N4S
Molecular Weight 254.31
CAS Registry Number 16629-40-6
SMILES C1=CC(=CC=N1)C2=NNC(N2C3=CC=CC=C3)=S
InChI 1S/C13H10N4S/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11/h1-9H,(H,16,18)
InChIKey KPJBNFINSPXEGF-UHFFFAOYSA-N
Properties
Density 1.339g/cm3 (Cal.)
Boiling point 486.94°C at 760 mmHg (Cal.)
Flash point 248.293°C (Cal.)
Safety Data
SDS Available
References
(1) S. Ö. Yildirim, M. Akkurt, A. Çetin, A. Cansiz, M. Sekerci and C. Kazak. 4-Phenyl-3-(pyridin-4-yl)-1H-1,2,4-triazole-5(4H)-thione, Acta Cryst. (2005). E61, o619-o621 
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