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4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, ethyl ester

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Name

4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, ethyl ester

EINECS N/A
CAS No. 126533-95-7 Density 1.276 g/cm3
PSA 79.90000 LogP 1.22140
Solubility N/A Melting Point 88.5 °C
Formula C10H14N2O3S Boiling Point 376.242 °C at 760 mmHg
Molecular Weight 242.299 Flash Point 181.345 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Harmful:;
Molecular Structure Molecular Structure of 126533-95-7 (ethyl 2-morpholino-1,3-thiazole-4-carboxylate) Hazard Symbols N/A
Synonyms

Ethyl 2-morpholino-1,3-thiazole-4-carboxylate;

 

4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, ethyl ester Specification

The 4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, ethyl ester, with the CAS registry number of 126533-95-7, is also known as Ethyl 2-morpholino-1,3-thiazole-4-carboxylate. Its molecular formula is C10H14N2O3S and molecular weight is 242.29476. What's more, its systematic name is Ethyl 2-(morpholin-4-yl)-1,3-thiazole-4-carboxylate.

Physical properties about the 4-Thiazolecarboxylicacid, 2-(4-morpholinyl)-, ethyl ester are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 79.9 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 60.944 cm3; (15)Molar Volume: 189.847 cm3; (16)Surface Tension: 50.231 dyne/cm; (17)Density: 1.276 g/cm3; (18)Flash Point: 181.345 °C; (19)Enthalpy of Vaporization: 62.386 kJ/mol; (20)Boiling Point: 376.242 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1csc(n1)N2CCOCC2
(2) InChI: InChI=1/C10H14N2O3S/c1-2-15-9(13)8-7-16-10(11-8)12-3-5-14-6-4-12/h7H,2-6H2,1H3
(3) InChIKey: OINWWRRVBHJAKO-UHFFFAOYAE

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