4H-Thiopyran-4-one,tetrahydro-, 1,1-dioxide (17396-35-9)

The Tetrahydrothiopyran-4-one is an organic compound with the formula C₅H₈O₃S. The IUPAC name of this chemical is 1,1-dioxothian-4-one. With the CAS registry number 17396-35-9, it is also named as Tetrahydrothiopyran-4-one S,S-dioxide. Additionally, it should be avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 3.802; (4)ACD/KOC (pH 7.4): 3.802; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0 ; (8)Index of Refraction: 1.498; (9)Molar Refractivity: 32.084 cm³; (10)Molar Volume: 109.525 cm³; (11)Polarizability: 12.719×10^-24 cm³; (12)Surface Tension: 46.149 dyne/cm; (13)Flash Point: 265.66 °C; (14)Enthalpy of Vaporization: 63.395 kJ/mol; (15)Boiling Point: 385.176 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C; (17)Tautomer Count: 2; (18)Exact Mass: 148.019415; (19)MonoIsotopic Mass: 148.019415; (20)Topological Polar Surface Area: 59.6; (21)Heavy Atom Count: 9; (22)Complexity: 193.

Preparation of Tetrahydrothiopyran-4-one: It can be obtained by tetrahydro-thiopyran-4-one. This reaction needs reagent acetic acid and aqueous hydrogen peroxide.
 

Uses of Tetrahydrothiopyran-4-one: It can react with benzaldehyde to get 3,5-dibenzylidene-1,1-dioxo-tetrahydro-1l6-thiopyran-4-one. This reaction needs reagent conc. HCl and solvent ethanol by heating. The yield is 82 %.

People can use the following data to convert to the molecule structure.
1. SMILES:C1CS(=O)(=O)CCC1=O
2. InChI:InChI=1/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2
3. InChIKey:XFMQGQAAHOGFQS-UHFFFAOYAT