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| CAS No.: | 72437-63-9 |
|---|---|
| Name: | Ethyl allyl disulfide |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H10S2 |
| Molecular Weight: | 134.266 |
| Synonyms: | Disulfide,allyl ethyl (7CI);Disulfide, ethyl 2-propenyl (9CI);4,5-Dithia-1-heptene; |
| Density: | 1.001g/cm3 |
| Boiling Point: | 160.1 °C at 760 mmHg |
| Flash Point: | 49.1 °C |
| PSA: | 50.60000 |
| LogP: | 2.57370 |
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- Total:14 Page 1 of 1 1
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Specification
The Ethyl allyl disulfide with the cas number 72437-63-9 is also called Disulfide, ethyl2-propen-1-yl. The systematic name is 3-(ethyldisulfanyl)prop-1-ene. Its molecular formula is C5H10S2. This chemical should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 140.63; (6)ACD/BCF (pH 7.4): 140.63; (7)ACD/KOC (pH 5.5): 1200.04; (8)ACD/KOC (pH 7.4): 1200.04; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.6Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 40.93 cm3; (15)Molar Volume: 134.1 cm3; (16)Polarizability: 16.22×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 38.04 kJ/mol; (19)Vapour Pressure: 3.16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S(SCC)C\C=C
(2)InChI: InChI=1/C5H10S2/c1-3-5-7-6-4-2/h3H,1,4-5H2,2H3
(3)InChIKey: DJLRNCWMAKPXJF-UHFFFAOYAS