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| CAS No.: | 33922-70-2 |
|---|---|
| Name: | Allylpropylsulfide |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H12 S |
| Molecular Weight: | 116.227 |
| Synonyms: | Sulfide,propenyl propyl (7CI,8CI);1-(Propylthio)-1-propene;Propenyl propyl sulfide;Propyl 1-propenyl sulfide;Propyl propenyl sulfide; |
| Density: | 0.86g/cm3 |
| Boiling Point: | 152.551 °C at 760 mmHg |
| Flash Point: | 37.817 °C |
| PSA: | 25.30000 |
| LogP: | 2.66320 |
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Specification
The Propyl propenyl sulfide with cas registry number of 33922-70-2, is also named Sulfide,propenyl propyl (7CI,8CI) ; 1-(Propylthio)-1-propene .The Propyl propenyl sulfide belongs to the following product categorie: sulfide Flavor .
Physical properties of Propyl propenyl sulfide :(1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 58; (6)ACD/BCF (pH 7.4): 58; (7)ACD/KOC (pH 5.5): 638; (8)ACD/KOC (pH 7.4): 638; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 37.901 cm3; (15)Molar Volume: 135.16 cm3; (16)Polarizability: 15.025×10-24cm3; (17)Surface Tension: 27.223 dyne/cm; (18)Enthalpy of Vaporization: 37.333 kJ/mol; (19)Vapour Pressure: 4.449 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:S(\C=C/C)CCC; (2)InChI:InChI=1/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-; (3)InChIKey:RKVNNVDQIVWRNA-HYXAFXHYBQ; (4)Std. InChI:InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-; (5)Std. InChIKey:RKVNNVDQIVWRNA-HYXAFXHYSA-N .