4-BENZYLOXYPHENYL ISOTHIOCYANATE

This chemical is called 4-(Benzyloxy)phenyl isothiocyanate, and its systematic name is 1-(benzyloxy)-4-isothiocyanatobenzene. With the molecular formula of C₁₄H₁₁NOS, its CAS registry number is 139768-71-1. Additionally, its product category is Isothiocyanate. It should be sealed in the cool and dry place, away from water and moisture.

Other characteristics of the 4-(Benzyloxy)phenyl isothiocyanate can be summarised as followings: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 5656.19; (6)ACD/BCF (pH 7.4): 5656.19; (7)ACD/KOC (pH 5.5): 16890.76; (8)ACD/KOC (pH 7.4): 16890.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.68 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 73.73 cm³; (15)Molar Volume: 220.8 cm³; (16)Polarizability: 29.23×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 191.4 °C; (20)Enthalpy of Vaporization: 61.77 kJ/mol; (21)Boiling Point: 392.9 °C at 760 mmHg; (22)Vapour Pressure: 5E-06 mmHg at 25°C.

Uses of this chemical: The 4-(Benzyloxy)phenyl isothiocyanate could react with monoethanolamine hydrogen sulfate, and obtain the (4-benzyloxy-phenyl)-thiazolidin-2-ylidene-amine. This reaction needs the reagent of NaOH, and the solvent of aq. ethanol. The yield is 48 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

You can still convert the following datas into molecular structure: 
1.SMILES: S=C=N\c2ccc(OCc1ccccc1)cc2
2.InChI: InChI=1/C14H11NOS/c17-11-15-13-6-8-14(9-7-13)16-10-12-4-2-1-3-5-12/h1-9H,10H2
3.InChIKey: OQXRBXAFSXVCCO-UHFFFAOYAG