1-Isothiocyanato-3,5,7-Trimethyladamantane
[CAS# 351328-45-5]

Identification

• Name: 1-Isothiocyanato-3,5,7-Trimethyladamantane
• Synonyms: 1-isothiocyanato-3,5,7-trimethyladamantane
• Molecular Formula: C₁₄H₂₁NS
• Molecular Weight: 235.39
• CAS Registry Number: 351328-45-5
• SMILES: S=C=N/C13CC2(C)CC(C)(C1)CC(C)(C2)C3
• InChI: 1S/C14H21NS/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)15-10-16/h4-9H2,1-3H3
• InChIKey: VGPIOEGZPIVUOE-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 302.876°C at 760 mmHg (Cal.)
• Flash point: 141.727°C (Cal.)
• Refractive index: 1.614 (Cal.)