4-{2-[4-(4-Fluorophenyl)-5-Sulfanyl-4H-1,2,4-Triazol-3-Yl]Ethyl}Phenol
[CAS# 217487-47-3]

Identification

• Name: 4-{2-[4-(4-Fluorophenyl)-5-Sulfanyl-4H-1,2,4-Triazol-3-Yl]Ethyl}Phenol
• Synonyms: 3H-1,2,4-TRIAZOLE-3-THIONE,4-(4-FLUOROPHENYL)-2,4-DIHYDRO-5-[2-(4-HYDROXYPHENYL)ETHYL]-; Maybridge1_000302; ZINC00067491
• Molecular Formula: C₁₆H₁₄FN₃OS
• Molecular Weight: 315.37
• CAS Registry Number: 217487-47-3
• SMILES: C1=CC(=CC=C1CCC2=NN=C(N2C3=CC=C(C=C3)F)S)O
• InChI: 1S/C16H14FN3OS/c17-12-4-6-13(7-5-12)20-15(18-19-16(20)22)10-3-11-1-8-14(21)9-2-11/h1-2,4-9,21H,3,10H2,(H,19,22)
• InChIKey: CAQNCYJKSKYPSA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 538.9±60.0°C at 760 mmHg (Cal.)
• Flash point: 279.7±32.9°C (Cal.)
• Refractive index: 1.665 (Cal.)