DI-N-DODECYL SULFOXIDE

The Dodecane,1-(dodecylsulfinyl)- is an organic compound with the formula C₂₄H₅₀OS. The IUPAC name of this chemical is 1-dodecylsulfinyldodecane. With the CAS registry number 2168-96-9, it is also named as Didodecyl Sulfoxide.

Physical properties about Dodecane,1-(dodecylsulfinyl)- are: (1)ACD/LogP: 10.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.34; (4)ACD/LogD (pH 7.4): 10.34; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 22; (11)Polar Surface Area: 36.28 Å²; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 122.1 cm³; (14)Molar Volume: 434.2 cm³; (15)Polarizability: 48.4×10^-24cm³; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 0.89 g/cm³; (18)Flash Point: 259.3 °C; (19)Enthalpy of Vaporization: 74.54 kJ/mol; (20)Boiling Point: 505.1 °C at 760 mmHg; (21)Vapour Pressure: 7.89E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by didodecylsulfane. This reaction will need reagent CrO₃, glacial acetic acid.

Uses of Dodecane,1-(dodecylsulfinyl)-: it can be used to produce didodecylsulfane at temperature of 0 - 5 °C. It will need reagent NaBH₄, NiCl₂ and solvent tetrahydrofuran with reaction time of 1.5 hours. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(CCCCCCCCCCCC)CCCCCCCCCCCC
(2)InChI: InChI=1/C24H50OS/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
(3)InChIKey: PZKDFFVFMXTDIP-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C24H50OS/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
(5)Std. InChIKey: PZKDFFVFMXTDIP-UHFFFAOYSA-N