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Ethyl methyl disulphide

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Name

Ethyl methyl disulphide

EINECS 606-526-2
CAS No. 20333-39-5 Density 1.021 g/cm3
PSA 50.60000 LogP 2.01750
Solubility N/A Melting Point -105.91 °C
Formula C3H8S2 Boiling Point 121 °C at 760 mmHg
Molecular Weight 108.229 Flash Point 32.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20333-39-5 (ETHYL METHYL DISULFIDE) Hazard Symbols N/A
Synonyms

2,3-Dithiapentane;Ethanesulfenothioic acid, methyl ester;Ethyl methyldisulfide;Methyl ethyl disulfide;

Article Data 7

Ethyl methyl disulphide 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

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