ISOPROPYL DISULFIDE

The Disulfide,bis(1-methylethyl), with CAS registry number 4253-89-8, belongs to the following product categories: (1)sulfide Flavor; (2)Organic Building Blocks; (3)Sulfides/Disulfides; (4)Sulfur Compounds; (5)Alphabetical Listings; (6)Flavors and Fragrances; (7)I-L. It has the systematic name of 2-(propan-2-yldisulfanyl)propane. This chemical is a kind of clear colourless liquid.

Physical properties of Disulfide,bis(1-methylethyl): (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 282.42; (6)ACD/BCF (pH 7.4): 282.42; (7)ACD/KOC (pH 5.5): 1976.76; (8)ACD/KOC (pH 7.4): 1976.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 45.75 cm³; (15)Molar Volume: 156.2 cm³; (16)Polarizability: 18.13×10^-24cm³; (17)Surface Tension: 30.4 dyne/cm; (18)Enthalpy of Vaporization: 39.74 kJ/mol; (19)Vapour Pressure: 1.35 mmHg at 25°C.

Preparation: this chemical can be prepared by propane-2-thiol. This reaction will need reagents S, 50% aq. NaOH, Tergitol 15-S-7.  The reaction time is 3 hour(s) with reaction temperature of 50 ℃. The yield is about 93%.

Uses of Disulfide,bis(1-methylethyl): it can be used to produce propane-2-thiosulfinic acid S-isopropyl ester. This reaction will need reagents acetic acid, aqueous hydrogen peroxide (1 mol).

When you are using this chemical, please be cautious about it as the following:
The Disulfide,bis(1-methylethyl) irritates to eyes, respiratory system and skin. And this chemical is highly flammable, so keep it away from sources of ignition. And keep container in a well-ventilated place. After use it, do not empty into drains. When use it, wear suitable protective clothing and take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SC(C)C)C(C)C
(2)InChI: InChI=1/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
(3)InChIKey: LZAZXBXPKRULLB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
(5)Std. InChIKey: LZAZXBXPKRULLB-UHFFFAOYSA-N