1,10-Decanedithiol (1191-67-9)

The 1,10-Decanedithiol, with CAS registry number of 1191-67-9, has the systematic name of decane-1,10-dithiol. And it is a kind of air sensitive chemical.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3278.78; (6)ACD/BCF (pH 7.4): 3274.39; (7)ACD/KOC (pH 5.5): 11432.44; (8)ACD/KOC (pH 7.4): 11417.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 64.17cm³; (15)Molar Volume: 221.6cm³; (16)Polarizability: 25.43×10^-24cm³; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.931 g/cm³; (19)Flash Point: 117.7 °C; (20)Enthalpy of Vaporization: 51.49 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00251 mmHg at 25°C.

Uses of 1,10-Decanedithiol: It can react with 1,5-dibromo-pentane to produce 1,7-Dithiacycloheptadecane. This reaction will need reagent Cs₂CO₃, and the menstruum dimethylformamide. The reaction temperature is 50°C, and the yield is about 90%.

You should be cautious while dealing with this chemical. It can cause irritating to the skin eyes or respiratory. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: SCCCCCCCCCCS
(2)InChI: InChI=1/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
(3)InChIKey: UOQACRNTVQWTFF-UHFFFAOYAQ 

The toxicity data is as follows: