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Basic Information
CAS No.: 176-35-2
Name: 1,4-Dioxa-7-thiaspiro[4.4]nonane
Molecular Structure:
Molecular Structure of 176-35-2 (1,4-Dioxa-7-thiaspiro[4.4]nonane)
Formula: C6H10O2S
Molecular Weight: 146.21
Synonyms: 3(2H)-Thiophenone,dihydro-, cyclic 1,2-ethanediyl acetal;
Density: 1.24 g/cm3
Boiling Point: 244.7 °C at 760 mmHg
Flash Point: 101.8 °C
PSA: 43.76000
LogP: 0.86640
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Specification

This chemical is called 1,4-Dioxa-7-thiaspiro[4.4]nonane, and its CAS registry number is 176-35-2. With the molecular formula of C6H10O2S, its molecular weight is 146.21.

Other characteristics of the 1,4-Dioxa-7-thiaspiro[4.4]nonane can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.74; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 51.64; (8)ACD/KOC (pH 7.4): 51.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.76 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 37.24 cm3; (15)Molar Volume: 117.5 cm3; (16)Polarizability: 14.76×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 101.8 °C; (20)Enthalpy of Vaporization: 46.22 kJ/mol; (21)Boiling Point: 244.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0468 mmHg at 25°C.

Production method of this chemical: The 1,4-Dioxa-7-thiaspiro[4.4]nonane could be obtained by the reactants of dihydro-thiophen-3-one and ethane-1,2-diol. This reaction needs the catalyst of p-toluenesulfonic acid, and the solvent of benzene. The yield is 74 %. The other condition is heating.

Uses of this chemical: The 1,4-dioxa-6-thiaspiro[4.4]nonane S-oxide could be obtained by the 1,4-Dioxa-7-thiaspiro[4.4]nonane. This reaction needs the reagent of H2O2/V2O5/t-BuOH, and the solvent of H2O. The yield is 71 %. In addition, this reaction should be taken at the temperature of 20 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: O1CCOC12CCSC2
2.InChI: InChI=1/C6H10O2S/c1-4-9-5-6(1)7-2-3-8-6/h1-5H2
3.InChIKey:RQALKBLYTUKBFV-UHFFFAOYAL