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22502-48-3

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Basic Information
CAS No.: 22502-48-3
Name: 14-THIOXO-DISPIRO[5.1.5.1]TETRADECAN-7-ONE
Article Data: 7
Molecular Structure:
Molecular Structure of 22502-48-3 (14-THIOXO-DISPIRO[5.1.5.1]TETRADECAN-7-ONE)
Formula: C14H20OS
Molecular Weight: 236.378
Synonyms: Dispiro[5.1.5.1]tetradecane-7,14-dione,7-thio- (8CI);
Density: 1.14 g/cm3
Boiling Point: 387.7 °C at 760 mmHg
Flash Point: 188.3 °C
PSA: 49.16000
LogP: 3.84000
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Specification

The Dispiro[5.1.5.1]tetradecan-7-one,14-thioxo-, with the CAS registry number 22502-48-3, is also known as 2,2,4,4-Tetramethyl-1,3-cyclobutan-dithion. This chemical's molecular formula is C14H20OS and molecular weight is 236.37. What's more, its systematic name is called 14-Thioxodispiro[5.1.5.1]tetradecan-7-one.

Physical properties about Dispiro[5.1.5.1]tetradecan-7-one,14-thioxo- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.75; (6)ACD/BCF (pH 7.4): 63.75; (7)ACD/KOC (pH 5.5): 681.15; (8)ACD/KOC (pH 7.4): 681.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.16 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 67.98 cm3; (15)Molar Volume: 206.4 cm3; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.14 g/cm3; (18)Flash Point: 188.3 °C; (19)Enthalpy of Vaporization: 63.68 kJ/mol; (20)Boiling Point: 387.7 °C at 760 mmHg; (21)Vapour Pressure: 3.24E-06 mmHg at 25 °C.

Preparation of Dispiro[5.1.5.1]tetradecan-7-one,14-thioxo-: this chemical can be prepared by Dispiro[5.1.5.1]tetradecane-7,14-dione. This reaction needs reagent P4S10 and solvent pyridine and other condition of heating for 5 hours.

Dispiro[5.1.5.1]tetradecan-7-one,14-thioxo- can be prepared by Dispiro[5.1.5.1]tetradecane-7,14-dione.

Uses of Dispiro[5.1.5.1]tetradecan-7-one,14-thioxo-: it is used to produce other chemicals. For example, it can react to get Dispiro[5.1.5.1]tetradecane-7,14-dithione. The reaction occurs with reagent P2S5 and solvent pyridine other condition of heating for 2 hours. The yield is 45 %.

Dispiro[5.1.5.1]tetradecan-7-one,14-thioxo- can react to get Dispiro[5.1.5.1]tetradecane-7,14-dithione.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C3(C(=S)C12CCCCC2)CCCCC3
(2) InChI: InChI=1/C14H20OS/c15-11-13(7-3-1-4-8-13)12(16)14(11)9-5-2-6-10-14/h1-10H2
(3) InChIKey: CRBQSRZZWDJTBI-UHFFFAOYAA