THIODIGLYCOLIC ANHYDRIDE

This chemical is called 1,4-Oxathiane-2,6-dione, and its systematic name is 1,4-oxathiane-2,6-dione. With the molecular formula of C₄H₄O₃S, its molecular weight is 132.14. The CAS registry number of this chemical is 3261-87-8. For it is stable under common temperature but sensitive to the air, it should be sealed to preserve.

Other characteristics of the 1,4-Oxathiane-2,6-dione can be summarised as followings: (1).ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.09; (8)ACD/KOC (pH 7.4): 5.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 68.67 Ų; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 28.47 cm³; (15)Molar Volume: 89.9 cm³; (16)Polarizability: 11.28×10^-24 cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.468 g/cm³; (19)Flash Point: 190.5 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 341.8 °C at 760 mmHg; (22)Vapour Pressure: 7.86E-05 mmHg at 25°C.

Production method of this chemical: The 1,4-Oxathiane-2,6-dione could be obtained by the reactant of sulfanediyl-bis-acetic acid. This reaction needs the reagent of N-methylmorpholine, methyl chloroformate, and the solvent of acetone. In addition, this reaction should be taken for 1.5 hours at the temperature of 20 °C.



Uses of the this chemical: The 1,4-Oxathiane-2,6-dione could react with octan-1-ol, and obtain the 3-thia-glutaric acid monooctyl ester. This reaction needs the reagent of conc.sulphuric acid. The yield is 64 %. In addition, this reaction should be heated.



When you are using this chemical, please be cautious about it as the following: The water is not harmful. Don't make it into the surroundings, without government permission. This chemical causes burns. It is harmful / corrosive by inhalation, in contacting with skin and if swallowed. Please wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1OC(=O)CSC1
2.InChI: InChI=1/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2
3.InChIKey: RIIUAPMWDSRBSH-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2
5.Std. InChIKey: RIIUAPMWDSRBSH-UHFFFAOYSA-N