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Name |
S-Propyl thioacetate |
EINECS | 218-984-7 |
CAS No. | 2307-10-0 | Density | 0.968 g/cm3 |
PSA | 42.37000 | LogP | 1.67610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H10OS | Boiling Point | 141.376 °C at 760 mmHg |
Molecular Weight | 118.2 | Flash Point | 36.039 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 16-26-36/37/39 | Risk Codes | 10-36/37/38 |
Molecular Structure | Hazard Symbols | R10:Flammable.; | |
Synonyms |
Aceticacid, thio-, S-propyl ester (6CI,7CI,8CI);Propyl thiolacetate; |
Article Data | 20 |
The S-Propyl thioacetate with the cas number 2307-10-0 is also called Ethanethioic acid,S-propyl ester. Its EINECS registry number is 218-984-7. The molecular formula is C5H10OS. The product's category is thioester Flavor.
The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.46; (6)ACD/BCF (pH 7.4): 13.46; (7)ACD/KOC (pH 5.5): 223.71; (8)ACD/KOC (pH 7.4): 223.71; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.37 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 33.23 cm3; (15)Molar Volume: 122.1 cm3; (16)Polarizability: 13.17×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Enthalpy of Vaporization: 37.86 kJ/mol; (19)Vapour Pressure: 5.87 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SCCC)C
(2)InChI: InChI=1/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3
(3)InChIKey: SBWFWBJCYMBZEY-UHFFFAOYAP