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CAS No.: | 22428-86-0 |
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Name: | 1,4-Dithiaspiro[4.5]decan-8-ol |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H14OS2 |
Molecular Weight: | 190.331 |
Synonyms: | NSC 244358;8-Hydroxy-1, 4-dithiaspiro[4.5]decane; |
Density: | 1.26 g/cm3 |
Melting Point: | 83-85℃ |
Boiling Point: | 339.7 °C at 760 mmHg |
Flash Point: | 165.3 °C |
PSA: | 70.83000 |
LogP: | 2.09760 |
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The 1, 4-Dithiaspiro[4.5]decan-8-ol, with the CAS registry number 22428-86-0, is also known as 8-Hydroxy-1, 4-dithiaspiro[4.5]decane. This chemical's molecular formula is C8H14OS2 and molecular weight is 190.33. What's more, its IUPAC name is 1, 4-Dithiaspiro[4.5]decan-8-ol.
Physical properties about 1, 4-Dithiaspiro[4.5]decan-8-ol are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 59.83 Å2; (7)Index of Refraction: 1.616; (8)Molar Refractivity: 52.55 cm3; (9)Molar Volume: 150.2 cm3; (10)Polarizability: 20.83×10-24 cm3; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 165.3 °C; (14)Enthalpy of Vaporization: 67.55 kJ/mol; (15)Boiling Point: 339.7 °C at 760 mmHg; (16)Vapour Pressure: 6.05E-06 mmHg at 25 °C.
Preparation of 1, 4-Dithiaspiro[4.5]decan-8-ol: this chemical is prepared by 4-Benzoyloxycyclohexanone ethylene thioacetal by heating. The reaction needs reagent aq. KOH and solvent Methanol. The reaction time is 3 hours. The yield is about 100 %.
Uses of 1, 4-Dithiaspiro[4.5]decan-8-ol: it is used to produce other chemicals. For example, it is used to produce 1, 4-Dithia-spiro[4.5]decan-8-one. The reaction needs reagent Pyridinium dichromate and solvent Dimethylformamide. The reaction time is 12 hours with reaction temperature of 0 °C. The yield is about 67 %.
You can still convert the following datas into molecular structure:
(1) SMILES: S1C2(SCC1)CCC(O)CC2
(2) InChI: InChI=1/C8H14OS2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h7,9H,1-6H2
(3) InChIKey: LAURNNUYMVKSSO-UHFFFAOYAW