1,3-BIS(METHYLTHIO)PROPANE

The Propane,1,3-bis(methylthio)-, with the CAS registry number 24949-35-7, is also known as 2,6-Dithiaheptane, 99%. This chemical's molecular formula is C₅H₁₂S₂ and molecular weight is 136.28. What's more, its IUPAC name is 1,3-Bis(methylsulfanyl)propane. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in a cool and dry place and be protected from oxidizes.

Physical properties of Propane,1,3-bis(methylthio)- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.79; (6)ACD/BCF (pH 7.4): 17.79; (7)ACD/KOC (pH 5.5): 273.2; (8)ACD/KOC (pH 7.4): 273.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 41.2 cm³; (15)Molar Volume: 139 cm³; (16)Polarizability: 16.33×10^-24 cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.98 g/cm³; (19)Flash Point: 76.1 °C; (20)Enthalpy of Vaporization: 42.3 kJ/mol; (21)Boiling Point: 204.8 °C at 760 mmHg; (22)Vapour Pressure: 0.37 mmHg at 25 °C.

Preparation: this chemical can be prepared by propane-1,3-dithiol and iodomethane. This reaction will need reagent sodium ethylate.

Uses of Propane,1,3-bis(methylthio)-: it can be used to produce (2-tert-butylperoxycarbonyl-ethyl)-methyl-(3-methylsulfanyl-propyl)-sulfonium at the ambient temperature. It will need reagent nitromethane. The yield is about 20%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CSCCCSC
(2)InChI: InChI=1S/C5H12S2/c1-6-4-3-5-7-2/h3-5H2,1-2H3
(3)InChIKey: JIZDZCFZPMIBPK-UHFFFAOYSA-N