1,4,8,11-Tetrathiacyclotetradecane

This product is an organic compound with the formula C₁₀H₂₀S₄. The IUPAC name of this chemical is 1,4,8,11-Tetrathiacyclotetradecane. With the CAS registry number 24194-61-4, it is also named as Tetrathia-14-crown-4. It belongs to the product categories of Heterocyclic Compounds; Azacrown Ethers; Crown Ethers; Functional Materials; Macrocycles for Host-Guest Chemistry. In addition, the molecular weight is 268.5258.

Physical properties about this chemical are: (1)ACD/LogP: 3.11; (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: 101.2 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 78.76 cm³; (9)Molar Volume: 246.2 cm³; (10)Polarizability: 31.22×10^-24 cm³; (11)Surface Tension: 40.8 dyne/cm; (12)Density: 1.09 g/cm³; (13)Flash Point: 287.3 °C; (14)Enthalpy of Vaporization: 66.07 kJ/mol; (15)Boiling Point: 431.6 °C at 760 mmHg; (16)Vapour Pressure: 2.99E-07 mmHg at 25 °C.

Preparation of 1,4,8,11-Tetrathiacyclotetradecane: this chemical can be prepared by 1,3-Dibromo-propane and 3,3'-Propane-1,3-diylbissulfanyl-bis-ethanethiol. This reaction needs reagent Cs₂CO₃ and solvent Dimethylformamide during the temperature between 45 °C and 50 °C. The yield is 76%.

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: S1CCSCCCSCCSCCC1
(2) InChI: InChI=1/C10H20S4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-10H2
(3) InChIKey: WMVHWZHZRYGGOO-UHFFFAOYAJ