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| CAS No.: | 94159-32-7 |
|---|---|
| Name: | 2-(4-Methylthiazol-5-yl)ethyl hexanoate |
| Molecular Structure: | |
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| Formula: | C12H19NO2S |
| Molecular Weight: | 241.354 |
| Synonyms: | Sulfuryl hexanoate;Caproic acid 2-(4-methylthiazol-5-yl)ethyl ester;2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate; |
| EINECS: | 303-210-3 |
| Density: | 1.078 g/cm3 |
| Boiling Point: | 143-145° (2 mm Hg) |
| Flash Point: | 158.3 °C |
| Solubility: | Soluble in non-polar solvents; Slightly soluble in water |
| Appearance: | Colourless to yellow liquid; Roasted, nutty aroma |
| PSA: | 67.43000 |
| LogP: | 3.11750 |
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- Total:33 Page 1 of 1 1
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Specification
The 2-(4-Methylthiazol-5-yl)ethyl hexanoate with cas registry number of 94159-32-7, is also called Sulfuryl hexanoate; Caproic acid 2-(4-methylthiazol-5-yl)ethyl ester.
Physical properties of 2-(4-Methylthiazol-5-yl)ethyl hexanoate: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 134.34; (6)ACD/BCF (pH 7.4): 135.11; (7)ACD/KOC (pH 5.5): 1159.45; (8)ACD/KOC (pH 7.4): 1166.14; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 66.67 cm3; (15)Molar Volume: 223.7 cm3; (16)Polarizability: 26.43×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Enthalpy of Vaporization: 58.14 kJ/mol; (19)Vapour Pressure: 0.000101 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:O=C(OCCc1scnc1C)CCCCC; (2)InChI:InChI=1/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3; (3)InChIKey:VJULDCZELAIZHC-UHFFFAOYAV; (4)Std. InChI:InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3; (5)Std. InChIKey:VJULDCZELAIZHC-UHFFFAOYSA-N.