1-Propene,1-(propylthio)- (33922-70-2)

The Propyl propenyl sulfide with cas registry number of 33922-70-2, is also named Sulfide,propenyl propyl (7CI,8CI) ; 1-(Propylthio)-1-propene .The Propyl propenyl sulfide belongs to the following product categorie: sulfide Flavor .

Physical properties of Propyl propenyl sulfide :(1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 58; (6)ACD/BCF (pH 7.4): 58; (7)ACD/KOC (pH 5.5): 638; (8)ACD/KOC (pH 7.4): 638; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 37.901 cm³; (15)Molar Volume: 135.16 cm³; (16)Polarizability: 15.025×10^-24cm³; (17)Surface Tension: 27.223 dyne/cm; (18)Enthalpy of Vaporization: 37.333 kJ/mol; (19)Vapour Pressure: 4.449 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:S(\C=C/C)CCC; (2)InChI:InChI=1/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-; (3)InChIKey:RKVNNVDQIVWRNA-HYXAFXHYBQ; (4)Std. InChI:InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-; (5)Std. InChIKey:RKVNNVDQIVWRNA-HYXAFXHYSA-N .