Thiomorpholine-1,1-dioxide

With the CAS registry Number 39093-93-1, the IUPAC name of Thiomorpholine-1,1-dioxide is 1,4-thiazinane 1,1-dioxide. The product's categorie is heterocycles series. It is light yellow solid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/LogD (pH 7.4): -1.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.45; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 0; (11)Index of Refraction: 1.48; (12)Molar Refractivity: 30.98 cm³; (13)Molar Volume: 109 cm³; (14)Polarizability: 12.28×10^-24 cm³; (15)Surface Tension: 35.1 dyne/cm; (16)Enthalpy of Vaporization: 57.93 kJ/mol; (17)Vapour Pressure: 0.000114 mmHg at 25°C; (18)Exact Mass: 135.035399; (19)MonoIsotopic Mass: 135.035399; (20)Topological Polar Surface Area: 54.6; (21)Heavy Atom Count: 8; (22)Complexity: 143.

Preparation of Thiomorpholine-1,1-dioxide: It can be obtained by [1,4]oxathiane-4,4-dioxide. This reaction needs reagent aq. NH₃ at temperature of 150 °C. The yield is 92%.

Uses of Thiomorpholine-1,1-dioxide: It reacts with cyanogen bromide to get 1,1-dioxo-thiomorpholine-4-carbonitrile. This reaction needs reagent triethylamine and solvent diethyl ether and dioxane at ambient temperature. The reaction time is 5 hours. The yield is 62%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=S1(=O)CCNCC1
2. InChI:InChI=1/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2 
3. InChIKey:NDOVLWQBFFJETK-UHFFFAOYAE