2-Ethyl-6-Isopropylphenyl Isothiocyanate
[CAS# 67330-54-5]

Identification

• Name: 2-Ethyl-6-Isopropylphenyl Isothiocyanate
• Synonyms: 1-Ethyl-3-Isopropyl-2-Isothiocyanato-Benzene; 1-Ethyl-3-Isopropyl-2-Isothiocyanatobenzene; 1-Ethyl-2-Isothiocyanato-3-Propan-2-Yl-Benzene
• Molecular Formula: C₁₂H₁₅NS
• Molecular Weight: 205.32
• CAS Registry Number: 67330-54-5
• SMILES: S=C=NC1=C(C=CC=C1CC)C(C)C
• InChI: 1S/C12H15NS/c1-4-10-6-5-7-11(9(2)3)12(10)13-8-14/h5-7,9H,4H2,1-3H3
• InChIKey: HCOAPUYALIBFCM-UHFFFAOYSA-N

Properties

• Density: 0.987g/cm³ (Cal.)
• Boiling point: 306.923°C at 760 mmHg (Cal.)
• Flash point: 144.555°C (Cal.)