3-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Sulfanyl-2H-1,2,4-Triazole
[CAS# 156604-45-4]

Identification

• Name: 3-[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Sulfanyl-2H-1,2,4-Triazole
• Synonyms: 3-(3,7,11-Trimethyldodeca-2,6,10-Trienylsulfanyl)-2H-1,2,4-Triazole; 3-(3,7,11-Trimethyldodeca-2,6,10-Trienylthio)-2H-1,2,4-Triazole; 3-[[(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-Trienyl]Thio]-2H-1,2,4-Triazole
• Molecular Formula: C₁₇H₂₇N₃S
• Molecular Weight: 305.48
• CAS Registry Number: 156604-45-4
• SMILES: C1=N[NH]C(=N1)SC\C=C(\CC\C=C(\CCC=C(C)C)C)C
• InChI: 1S/C17H27N3S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-21-17-18-13-19-20-17/h7,9,11,13H,5-6,8,10,12H2,1-4H3,(H,18,19,20)/b15-9+,16-11+
• InChIKey: QFXNCKFWHATRCH-XGGJEREUSA-N

Properties

• Density: 1.037g/cm³ (Cal.)
• Boiling point: 455.832°C at 760 mmHg (Cal.)
• Flash point: 229.479°C (Cal.)