Furfuryl thiopropionate

The Furfuryl thiopropionate, with CAS registry number 59020-85-8, belongs to the following product categories: (1)API intermediates; (2)Thioester Flavor; (3)Alphabetical Listings; (4)E-F; (5)Flavors and Fragrances. It has the systematic name of S-(furan-2-ylmethyl) propanethioate. The main use of this chemical is for food flavor. And the chemical formula of this chemical is C₈H₁₀O₂S. What's more, its EINECS is 261-562-2.

Physical properties of Furfuryl thiopropionate: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.4; (6)ACD/BCF (pH 7.4): 27.4; (7)ACD/KOC (pH 5.5): 372.2; (8)ACD/KOC (pH 7.4): 372.2; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.51 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 45.39 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 17.99×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.141 g/cm³; (19)Flash Point: 97.8 °C; (20)Enthalpy of Vaporization: 47.14 kJ/mol; (21)Boiling Point: 234.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0523 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Furfuryl thiopropionate irritates to eyes, respiratory system and skin. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCc1occc1)CC
(2)InChI: InChI=1/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
(3)InChIKey: JNVPDFNCAUOOIT-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10O2S/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3
(5)Std. InChIKey: JNVPDFNCAUOOIT-UHFFFAOYSA-N