Pyrazine, 2-[(2-furanylmethyl)thio]- (164352-93-6)

The CAS register number of 2-Furfurylthiopyrazine is 164352-93-6. It also can be called as Pyrazine, 2-[(2-furanylmethyl)thio]- and the systematic name about this chemical is 2-[(furan-2-ylmethyl)sulfanyl]pyrazine. It belongs to the pyrazine Flavor.

Physical properties about 2-Furfurylthiopyrazine are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): 1.51; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 8.31; (5)ACD/BCF (pH 7.4): 8.31; (6)ACD/KOC (pH 5.5): 158.46; (7)ACD/KOC (pH 7.4): 158.46; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 64.22Ų; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 52.18 cm³; (13)Molar Volume: 148.9 cm³; (14)Polarizability: 20.68x10^-24cm³; (15)Surface Tension: 60.9 dyne/cm; (16)Enthalpy of Vaporization: 54.13 kJ/mol; (17)Boiling Point: 322 °C at 760 mmHg; (18)Vapour Pressure: 0.000542 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(SCc1occc1)cncc2
(2)InChI: InChI=1/C9H8N2OS/c1-2-8(12-5-1)7-13-9-6-10-3-4-11-9/h1-6H,7H2
(3)InChIKey: VICVSKQFQDAHAD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H8N2OS/c1-2-8(12-5-1)7-13-9-6-10-3-4-11-9/h1-6H,7H2
(5)Std. InChIKey: VICVSKQFQDAHAD-UHFFFAOYSA-N