26891-70-3

The the CAS registry number of 2-(Octylthio)pyridine is 26891-70-3. This chemical's molecular formula is C₁₃H₂₁NS and molecular weight is 223.3775. Its systematic name is called 2-(octylsulfanyl)pyridine.

Physical properties of this chemical are: (1)ACD/LogP: 5.43; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.521; (7)Molar Refractivity: 69.6 cm³; (8)Molar Volume: 228.4 cm³; (9)Surface Tension: 39.3 dyne/cm; (10)Density: 0.97 g/cm³; (11)Flash Point: 152.6 °C; (12)Enthalpy of Vaporization: 54.84 kJ/mol; (13)Boiling Point: 328.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000357 mmHg at 25°C.

Preparation of 2-(Octylthio)pyridine: this chemical can be prepared by 1-(1-oxononoxy)-2(1H)-pyridinethione and pyridin-2-ylsulfanyl-acetonitrile. This reaction will need solvent benzene. The reaction time is 2 min with reaction temperature of 50 °C. It also needs irradiation. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ncccc1)CCCCCCCC
(2)InChI: InChI=1/C13H21NS/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-13/h7-8,10-11H,2-6,9,12H2,1H3
(3)InChIKey: REOQCSLPRBUHOY-UHFFFAOYAD