5-Isothiocyanatopentylbenzene
[CAS# 133920-05-5]

Identification

• Name: 5-Isothiocyanatopentylbenzene
• Synonyms: 5-Phenylpentyl Isothiocyanate; Ccris 8258
• Molecular Formula: C₁₂H₁₅NS
• Molecular Weight: 205.32
• CAS Registry Number: 133920-05-5
• SMILES: S=C=NCCCCCC1=CC=CC=C1
• InChI: 1S/C12H15NS/c14-11-13-10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
• InChIKey: XTHYKVRNGUYFOS-UHFFFAOYSA-N

Properties

• Density: 0.975g/cm³ (Cal.)
• Boiling point: 331.424°C at 760 mmHg (Cal.)
• Flash point: 161.675°C (Cal.)