Furan,2-[(propyldithio)methyl]- (252736-36-0)

The Furfuryl propyl disulfide, with the CAS registry number 252736-36-0, is also known as 2-[(Propyldithio)methyl]furan. It belongs to the product category of Sulfide Flavor. This chemical's molecular formula is C₈H₁₂OS₂ and molecular weight is 188.31. Its systematic name is called 2-[(propyldisulfanyl)methyl]furan.

Physical properties of Furfuryl propyl disulfide: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)ACD/BCF (pH 5.5): 432.06; (6)ACD/BCF (pH 7.4): 432.06; (7)ACD/KOC (pH 5.5): 2679.94; (8)ACD/KOC (pH 7.4): 2679.94; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 53.36 cm³; (13)Molar Volume: 165.9 cm³; (14)Surface Tension: 40.4 dyne/cm; (15)Density: 1.134 g/cm³; (16)Flash Point: 108.9 °C; (17)Enthalpy of Vaporization: 47.4 kJ/mol; (18)Boiling Point: 256.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCSSCc1ccco1
(2)InChI: InChI=1/C8H12OS2/c1-2-6-10-11-7-8-4-3-5-9-8/h3-5H,2,6-7H2,1H3
(3)InChIKey: YCXWJNAAXGVFED-UHFFFAOYAG