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1,4,8,11-Tetrathiacyclotetradecane

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Name

1,4,8,11-Tetrathiacyclotetradecane

EINECS N/A
CAS No. 24194-61-4 Density 1.09 g/cm3
PSA 101.20000 LogP 3.71300
Solubility N/A Melting Point 123 ºC
Formula C10H20S4 Boiling Point 431.6 °C at 760 mmHg
Molecular Weight 268.533 Flash Point 287.3 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 24194-61-4 (1,4,8,11-Tetrathiacyclotetradecane) Hazard Symbols IrritantXi
Synonyms

Tetrathia-14-crown-4;

Article Data 9

1,4,8,11-Tetrathiacyclotetradecane Specification

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%.

1,4,8,11-Tetrathiacyclotetradecane can be prepared by 1,3-Dibromo-propane and 3,3'-Propane-1,3-diylbissulfanyl-bis-ethanethiol

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

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