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2-(4-Methyl-5-thiazolyl)ethyl decanoate

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Name

2-(4-Methyl-5-thiazolyl)ethyl decanoate

EINECS N/A
CAS No. 101426-31-7 Density 1.026 g/cm3
PSA 67.43000 LogP 4.67790
Solubility N/A Melting Point N/A
Formula C16H27NO2S Boiling Point 396.8 °C at 760 mmHg
Molecular Weight 297.49 Flash Point 193.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 101426-31-7 (2-(4-Methyl-5-thiazolyl)ethyl decanoate) Hazard Symbols N/A
Synonyms

2-(4-Methyl-5-thiazolyl)ethyl decanoate;

 

2-(4-Methyl-5-thiazolyl)ethyl decanoate 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

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