1-Isothiocyanato-3-Methyladamantane
[CAS# 136860-48-5]

Identification

• Name: 1-Isothiocyanato-3-Methyladamantane
• Synonyms: 1-Isothiocyanato-3-methyladamantane #; 3-methyl-1-adamantyl isothiocyanate
• Molecular Formula: C₁₂H₁₇NS
• Molecular Weight: 207.34
• CAS Registry Number: 136860-48-5
• SMILES: S=C=N\C13CC2CC(CC(C1)C2)(C3)C
• InChI: 1S/C12H17NS/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)13-8-14/h9-10H,2-7H2,1H3
• InChIKey: ZJAYYILGFJOGCD-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 297.482°C at 760 mmHg (Cal.)
• Flash point: 137.958°C (Cal.)
• Refractive index: 1.676 (Cal.)