1,4,7,10,13,16-Hexathiacyclooctadecane

This product is an organic compound with the formula C₁₂H₂₄S₆. The IUPAC name of this chemical is 1,4,7,10,13,16-Hexathiacyclooctadecane. With the CAS registry number 296-41-3, it is also named as 18-Ethano-S6. In addition, the molecular weight is 360.709.

Physical properties about this chemical are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 151.8 Å²; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 104.31 cm³; (9)Molar Volume: 316.1 cm³; (10)Polarizability: 41.35×10^-24 cm³; (11)Surface Tension: 43.8 dyne/cm; (12)Density: 1.14 g/cm³; (13)Flash Point: 296.9 °C; (14)Enthalpy of Vaporization: 79.55 kJ/mol; (15)Boiling Point: 547.2 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-11 mmHg at 25 °C.

Preparation of 1,4,7,10,13,16-Hexathiacyclooctadecane: this chemical can be prepared by 2,2'-Sulfanediyl-bis-ethanethiol and Bis-[2-(2-chloro-ethylsulfanyl)-ethyl]-sulfide. This reaction needs reagent Cesium carbonate and solvent Dimethylformamide at temperature of 50 °C. In addition, the reaction time is 4 hours and the yield is 89%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: S1CCSCCSCCSCCSCCSCC1
(2) InChI: InChI=1/C12H24S6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
(3) InChIKey: HELCSRZMDRYPIJ-UHFFFAOYAP