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| CAS No.: | 682-91-7 |
|---|---|
| Name: | Ethylicin |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C4H10O2S2 |
| Molecular Weight: | 154.254 |
| Synonyms: | Ethanesulfonicacid, thio-, S-ethyl ester (6CI,7CI,8CI);Ethanethiol, ethanesulfonate(6CI,8CI);Ethanethiosulfonic acid ethyl ester;Ethyl ethanethiosulfonate;NSC22422;Pseudoallicin 150;S-Ethyl ethanethiosulfonate; |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 283.7 °C at 760 mmHg |
| Flash Point: | 125.4 °C |
| PSA: | 67.82000 |
| LogP: | 2.17000 |
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Specification
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