Ethanesulfonothioicacid, S-ethyl ester (682-91-7)

The Ethylicin with the cas number 682-91-7 is also called ethanesulfonothioic acid, S-ethyl ester. The systematic name is S-ethyl ethanesulfonothioate. Its molecular formula is C₄H₁₀O₂S₂. The product's category is FUNGICIDE.

The properties of the chemical are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 67.82 Å²; (7)Index of Refraction: 1.488; (8)Molar Refractivity: 37.39 cm³; (9)Molar Volume: 129.5 cm³; (10)Polarizability: 14.82×10^-24cm³; (11)Surface Tension: 39.6 dyne/cm ; (12)Enthalpy of Vaporization: 50.17 kJ/mol; (13)Vapour Pressure: 0.00533 mmHg at 25°C.

Preparation: This chemical can be prepared by ethanesulfinyl chloride. This reaction needs reagent diethyl ether and zinc.

Uses: This chemical can react with dithioacetic acid methyl ester, to product ethylsulfanyl-dithioacetic acid methyl ester. This reaction needs reagent sodium amide and liquid ammonia. The yield is 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(SCC)CC
(2)InChI: InChI=1/C4H10O2S2/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3
(3)InChIKey: OICGFSUWXCJLCO-UHFFFAOYAZ