1-Cyclohexyl-4-(1-Phenyl-5-Tetrazolyl)Thio-1-Butanone
[CAS# 80087-23-6]

Identification

• Name: 1-Cyclohexyl-4-(1-Phenyl-5-Tetrazolyl)Thio-1-Butanone
• Synonyms: 1-Cyclohexyl-4-(1-Phenyltetrazol-5-Yl)Sulfanyl-Butan-1-One; 1-Cyclohexyl-4-[(1-Phenyl-5-Tetrazolyl)Thio]Butan-1-One; 1-Cyclohexyl-4-[(1-Phenyltetrazol-5-Yl)Thio]Butan-1-One
• Molecular Formula: C₁₇H₂₂N₄OS
• Molecular Weight: 330.45
• CAS Registry Number: 80087-23-6
• SMILES: C3=C([N]1N=NN=C1SCCCC(=O)C2CCCCC2)C=CC=C3
• InChI: 1S/C17H22N4OS/c22-16(14-8-3-1-4-9-14)12-7-13-23-17-18-19-20-21(17)15-10-5-2-6-11-15/h2,5-6,10-11,14H,1,3-4,7-9,12-13H2
• InChIKey: HNNQYYDGTCRRIK-UHFFFAOYSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 526.544°C at 760 mmHg (Cal.)
• Flash point: 272.244°C (Cal.)