1-(trans-4-Heptylcyclohexyl)-4-{2-[trans-4-(4-Isothiocyanatophenyl)Cyclohexyl]Ethyl}Benzene
[CAS# 117736-18-2]

Identification

• Name: 1-(trans-4-Heptylcyclohexyl)-4-{2-[trans-4-(4-Isothiocyanatophenyl)Cyclohexyl]Ethyl}Benzene
• Molecular Formula: C₃₄H₄₇NS
• Molecular Weight: 501.81
• CAS Registry Number: 117736-18-2
• SMILES: S=C=N/c1ccc(cc1)[C@H]2CC[C@@H](CC2)CCc3ccc(cc3)[C@@H]4CC[C@@H](CCCCCCC)CC4
• InChI: 1S/C34H47NS/c1-2-3-4-5-6-7-27-10-16-30(17-11-27)31-18-12-28(13-19-31)8-9-29-14-20-32(21-15-29)33-22-24-34(25-23-33)35-26-36/h12-13,18-19,22-25,27,29-30,32H,2-11,14-17,20-21H2,1H3/t27-,29-,30-,32-
• InChIKey: GBOGSORKZCCKOJ-OPDLBQQDSA-N

Properties

• Density: 1.05g/cm³ (Cal.)
• Boiling point: 621.641°C at 760 mmHg (Cal.)
• Flash point: 364.457°C (Cal.)
• Refractive index: 1.581 (Cal.)