Etoxadrol-2-Isothiocyanate
[CAS# 117994-64-6]

Identification

• Name: Etoxadrol-2-Isothiocyanate
• Synonyms: (2-Ethyl-2-(3-Isothiocyanatophenyl)-2-Piperidyl)-1,3-Dioxolane; Etoxadrol-2-Isothiocyanate; Etoxadrol-Meta-Isothiocyanate
• Molecular Formula: C₁₇H₂₂N₂O₂S
• Molecular Weight: 318.43
• CAS Registry Number: 117994-64-6
• SMILES: [C@@H]1(NCCCC1)[C@@H]2O[C@](OC2)(C3=CC=CC(=C3)N=C=S)CC
• InChI: 1S/C17H22N2O2S/c1-2-17(13-6-5-7-14(10-13)19-12-22)20-11-16(21-17)15-8-3-4-9-18-15/h5-7,10,15-16,18H,2-4,8-9,11H2,1H3/t15-,16+,17-/m0/s1
• InChIKey: YLEFFVJJULTPHH-BBWFWOEESA-N

Properties

• Density: 1.242g/cm³ (Cal.)
• Boiling point: 467.899°C at 760 mmHg (Cal.)
• Flash point: 236.777°C (Cal.)