7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidine-5-Thione
[CAS# 168152-67-8]

Identification

• Name: 7-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-a]Pyrimidine-5-Thione
• Synonyms: 7-Propyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidine-5-Thione; 7-Propyl-6-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-[1,2,4]Triazolo[1,5-A]Pyrimidine-5-Thione; (1,2,4)Triazolo(1,5-A)Pyrimidine-5(1H)-Thione, 7-Propyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-
• Molecular Formula: C₂₂H₂₀N₈S
• Molecular Weight: 428.51
• CAS Registry Number: 168152-67-8
• SMILES: C3=C(CC2=C(N1NC=NC1=NC2=S)CCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C22H20N8S/c1-2-5-19-18(21(31)25-22-23-13-24-30(19)22)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)20-26-28-29-27-20/h3-4,6-11,13H,2,5,12H2,1H3,(H,23,24,25,31)(H,26,27,28,29)
• InChIKey: ZNUDJQJCWXYTPJ-UHFFFAOYSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 650.631°C at 760 mmHg (Cal.)
• Flash point: 347.289°C (Cal.)