Didodecyl sulfide

The Didodecyl sulfide, with the CAS registry number 2469-45-6, is also known as Bis(n-dodecyl)sulfide. It belongs to the product categories of Organic Building Blocks; Sulfides/Disulfides; Sulfur Compounds. Its EINECS registry number is 219-587-1. This chemical's molecular formula is C₂₄H₅₀S and molecular weight is 370.72. Its IUPAC name is called 1-dodecylsulfanyldodecane. This chemical is white to light yellow crystalline powder or flakes.

Physical properties of Didodecyl sulfide: (1)ACD/LogP: 12.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.58; (4)ACD/LogD (pH 7.4): 12.58; (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)#Freely Rotating Bonds: 22; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 121.23 cm³; (12)Molar Volume: 438.6 cm³; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 0.845 g/cm³; (15)Flash Point: 254.5 °C; (16)Enthalpy of Vaporization: 69.92 kJ/mol; (17)Boiling Point: 465.4 °C at 760 mmHg; (18)Vapour Pressure: 2.14E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by didodecyl sulfoxide. This reaction will need reagent NaBH₄, NiCl₂ and solvent tetrahydrofuran. The reaction time is 1.5 hours with reaction temperature of 0 - 5 °C. The yield is about 96%.

Uses of Didodecyl sulfide: it can be used to produce didodecyl sulfoxide. This reaction will need reagent CrO₃, glacial acetic acid.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCSCCCCCCCCCCCC
(2)InChI: InChI=1S/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
(3)InChIKey: UPYPTOCXMIWHSG-UHFFFAOYSA-N