Propane,2-(methylthio)- (9CI) (1551-21-9)

The Isopropyl methyl sulfide with the CAS number 1551-21-9 is also called Propane,2-(methylthio)- (9CI). The IUPAC name is 2-methylsulfanylpropane. Its molecular formula is C₄H₁₀S. This chemical should stored in refrigerator.

The properties of the Isopropyl methyl sulfide are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.95; (6)ACD/BCF (pH 7.4): 12.95; (7)ACD/KOC (pH 5.5): 217.63; (8)ACD/KOC (pH 7.4): 217.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 28.53 cm³; (15)Molar Volume: 108.9 cm³; (16)Polarizability: 11.31×10^-24cm³; (17)Surface Tension: 23.3 dyne/cm; (18)Enthalpy of Vaporization: 30.71 kJ/mol; (19)Vapour Pressure: 87.4 mmHg at 25°C.

Uses: This chemical can react with azidobenzene to prepare 2-isopropylsulfanyl-aniline. This reaction needs reagent trifluoroacetic acid and trifluoromethanesulphonic acid at ambient temperature. The yield is 55%.

While using this chemical, you should be very cautious. This chemical is highly flammable. Therefore, you should take the following instructions. Firstly, you should keep container in a well-ventilated place. Then you should keep this chemical away from sources of ignition. Finally you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: S(C(C)C)C
(2)InChI: InChI=1/C4H10S/c1-4(2)5-3/h4H,1-3H3
(3)InChIKey: ROSSIHMZZJOVOU-UHFFFAOYAD