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| CAS No.: | 20333-39-5 |
|---|---|
| Name: | ETHYL METHYL DISULFIDE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C3H8S2 |
| Molecular Weight: | 108.229 |
| Synonyms: | 2,3-Dithiapentane;Ethanesulfenothioic acid, methyl ester;Ethyl methyldisulfide;Methyl ethyl disulfide; |
| EINECS: | 606-526-2 |
| Density: | 1.021 g/cm3 |
| Melting Point: | -105.91 °C |
| Boiling Point: | 121 °C at 760 mmHg |
| Flash Point: | 32.5 °C |
| PSA: | 50.60000 |
| LogP: | 2.01750 |
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Specification
The Ethyl methyl disulphide with the CAS number 20333-39-5 is also called Disulfide,ethyl methyl (6CI,7CI,8CI,9CI). Both the systematic name and IUPAC name are (methyldisulfanyl)ethane. Its molecular formula is C3H8S2. The product category is sulfide Flavor.
The properties of the chemical are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.04; (6)ACD/BCF (pH 7.4): 33.04; (7)ACD/KOC (pH 5.5): 425.53; (8)ACD/KOC (pH 7.4): 425.53; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 31.94 cm3; (15)Molar Volume: 105.9 cm3; (16)Polarizability: 12.66×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Enthalpy of Vaporization: 34.42 kJ/mol; (19)Vapour Pressure: 17.9 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of diethyldisulfane and dimethyldisulfane. This reaction needs reagent nitric oxide, air and solvent CD3CN at Ambient temperature. The reaction time is 1.0 hours. The yield is 49%.
You can still convert the following datas into molecular structure:
(1)SMILES: S(SCC)C
(2)InChI: InChI=1/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
(3)InChIKey: XLTBPTGNNLIKRW-UHFFFAOYAD