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| CAS No.: | 623-79-0 |
|---|---|
| Name: | O,S-Diethyl dithiocarbonate |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H10OS2 |
| Molecular Weight: | 150.266 |
| Synonyms: | Carbonicacid, dithio-, O,S-diethyl ester (8CI);Xanthic acid, ethyl-, ethyl ester(6CI,7CI);Diethyl xanthate;Ethyl O-ethylxanthate;Ethyl S-ethylxanthate;NSC8847;O,S-Diethyl dithiocarbonate; |
| EINECS: | 210-813-4 |
| Density: | 1.101 g/cm3 |
| Boiling Point: | 200 °C at 760 mmHg |
| Flash Point: | 74.8 °C |
| Appearance: | Yellow liquid |
| PSA: | 66.62000 |
| LogP: | 2.06090 |
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| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water for 1.5h; Ambient temperature; | 93% |
| Conditions | Yield |
|---|---|
| 18-crown-6 ether In dichloromethane for 1h; Ambient temperature; | 82% |
| In ethanol for 2h; Heating; | 55% |
| With ethanol |
| Conditions | Yield |
|---|---|
| In toluene Heating; Irradiation; | 69% |
| Zersetzen; | |
| In toluene for 0.0833333h; Heating; Irradiation; Yield given; |
| Conditions | Yield |
|---|---|
| In n-heptane for 2.5h; Heating; Irradiation; | 59% |
| Heating; Irradiation; | 59% |
| In toluene Heating; Irradiation; |
| Conditions | Yield |
|---|---|
| In acetone for 22h; Ambient temperature; Yield given. Further byproducts given; | A 11% B n/a C 30% D 12% |
| In acetone for 22h; Ambient temperature; Further byproducts given; | A 11% B n/a C 30% D 12% |
| Conditions | Yield |
|---|---|
| In acetone for 22h; Ambient temperature; Further byproducts given; | A 11% B 1.6% C 30% D 12% |
| Conditions | Yield |
|---|---|
| With 7,8-Dibromobicyclo<4.2.0>octa-2,4-diene In N,N-dimethyl-formamide for 18h; Ambient temperature; Further byproducts given; | A 29% B n/a C 25% D 10% |
| Conditions | Yield |
|---|---|
| With ethanol | |
| In ethanol | |
| In acetone Heating; | |
| With ethanol for 4h; Esterification; Heating; | |
| In ethanol for 4h; Heating; |
| Conditions | Yield |
|---|---|
| With ethanol |
- 502-55-6
bis-ethoxythiocarbonyldisulfane
A
- 75-15-0
carbon disulfide
B
- 623-79-0
O,S-Diethyl dithiocarbonate
C
- 762-03-8
thiocarbonic acid O,O'-diethyl ester
D
- 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate
| Conditions | Yield |
|---|---|
| bei der Destillation; Produkt 5:Schwefel; |
- Total:13 Page 1 of 1 1
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Specification
The O,S-Diethyl dithiocarbonate, with the CAS registry number 623-79-0 and EINECS registry number 210-813-4, has the IUPAC name of O-ethyl ethylsulfanylmethanethioate. And the molecular formula of the chemical is C5H10OS2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.62; (6)ACD/BCF (pH 7.4): 55.62; (7)ACD/KOC (pH 5.5): 617.78; (8)ACD/KOC (pH 7.4): 617.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.62 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 42.24 cm3; (15)Molar Volume: 136.3 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 74.8 °C; (20)Enthalpy of Vaporization: 41.84 kJ/mol; (21)Boiling Point: 200 °C at 760 mmHg; (22)Vapour Pressure: 0.469 mmHg at 25°C.
Preparation of O,S-Diethyl dithiocarbonate: This chemical can be prepared by 1,2,m-trithio-dicarbonic acid O,O'-diethyl ester. The reaction will need reagent toluene. The reaction time is 5 minutes with heating.
Uses of O,S-Diethyl dithiocarbonate: It can be used to produce dithiocarbonic acid S,S'-diethyl ester. This reaction will need reagent Aliquat 336. The reaction time is 1 hour with temperature of 100°C, and the yield is about 85%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(OCC)SCC
(2)InChI: InChI=1/C5H10OS2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3
(3)InChIKey: JGZZEAPGGFAOAY-UHFFFAOYAU