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Ethylicin

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Name

Ethylicin

EINECS N/A
CAS No. 682-91-7 Density 1.19 g/cm3
PSA 67.82000 LogP 2.17000
Solubility N/A Melting Point N/A
Formula C4H10O2S2 Boiling Point 283.7 °C at 760 mmHg
Molecular Weight 154.254 Flash Point 125.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 682-91-7 (Ethylicin) Hazard Symbols N/A
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;

Article Data 4

Ethylicin 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

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