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| CAS No.: | 101426-31-7 |
|---|---|
| Name: | 2-(4-Methyl-5-thiazolyl)ethyl decanoate |
| Molecular Structure: | |
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| Formula: | C16H27NO2S |
| Molecular Weight: | 297.49 |
| Synonyms: | 2-(4-Methyl-5-thiazolyl)ethyl decanoate; |
| Density: | 1.026 g/cm3 |
| Boiling Point: | 396.8 °C at 760 mmHg |
| Flash Point: | 193.8 °C |
| PSA: | 67.43000 |
| LogP: | 4.67790 |
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Specification
The 2-(4-Methyl-5-thiazolyl)ethyl decanoate with the CAS number 101426-31-7 is also called Decanoic acid,2-(4-methyl-5-thiazolyl)ethyl ester. Its molecular formula is C16H27NO2S. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-(4-Methyl-5-thiazolyl)ethyl decanoate are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 5.23; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 12; (8)Polar Surface Area: 67.43 Å2; (9)Index of Refraction: 1.499; (10)Molar Refractivity: 85.2 cm3; (11)Molar Volume: 289.7 cm3; (12)Polarizability: 33.77×10-24cm3; (13)Surface Tension: 38.4 dyne/cm; (14)Enthalpy of Vaporization: 64.72 kJ/mol; (15)Vapour Pressure: 1.66×10-6 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ncsc1CCOC(=O)CCCCCCCCC
(2)InChI: InChI=1/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3
(3)InChIKey: RUOLKIITSCGKJQ-UHFFFAOYAZ