DI-N-HEXYL DISULFIDE

The CAS register number of Disulfide, dihexyl is 10496-15-8. It also can be called as Di-n-hexyl disulfide and the IUPAC name about this chemical is 1-(hexyldisulfanyl)hexane. The molecular formula about this chemical is C₁₂H₂₆S₂ and the molecular weight is 234.46. When you are using this chemical, do not breathe vapour and avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

Physical properties about Disulfide, dihexyl are: (1)ACD/LogP: 7.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/LogD (pH 7.4): 7.08; (5)ACD/BCF (pH 5.5): 142383.78; (6)ACD/BCF (pH 7.4): 142383.78; (7)ACD/KOC (pH 5.5): 169990.41; (8)ACD/KOC (pH 7.4): 169990.41; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 50.6 Å²; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 73.63 cm³; (13)Molar Volume: 254.5 cm³; (14)Polarizability: 29.19x10^-24cm³; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 0.921 g/cm³; (17)Flash Point: 126.4 °C; (18)Enthalpy of Vaporization: 52.37 kJ/mol; (19)Boiling Point: 305.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00152 mmHg at 25 °C.

Preparation: this chemical can be prepared by hexane-1-thiol. This reaction will need reagent of MnO₂, molecular sieves and solvent of hexane. The reaction time is 1 hour. This reaction needs heating.

Uses of Disulfide, dihexyl: it can be used to produce 1-Hexyl cyclohexyl disulfide with dicyclohexyl disulfide. This reaction will need reagents of n-Bu₄NClO₄, O₂ and solvent of dimethylformamide. The reaction needs ambient temperature. The yield is about 34%.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SCCCCCC)CCCCCC
(2)InChI: InChI=1/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
(3)InChIKey: GJPDBURPGLWRPW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
(5)Std. InChIKey: GJPDBURPGLWRPW-UHFFFAOYSA-N