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CAS No.: | 90437-72-2 |
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Name: | 4-METHYL-2-MORPHOLIN-4-YL-1,3-THIAZOLE-5-CARBALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H12N2O2S |
Molecular Weight: | 212.272 |
Synonyms: | 5-Thiazolecarboxaldehyde,4-methyl-2-morpholino- (7CI); |
Density: | 1.299g/cm3 |
Boiling Point: | 379.7 °C at 760 mmHg |
Flash Point: | 183.4 °C |
PSA: | 70.67000 |
LogP: | 1.16560 |
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The 5-Thiazolecarboxaldehyde,4-methyl-2-(4-morpholinyl)-, with CAS registry number 90437-72-2, has the systematic name of 4-methyl-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde. Besides this, it is also called 4-Methyl-2-morpholin-4-yl-thiazole-5-carbaldehyde. And the chemical formula of this chemical is C9H12N2O2S.
Physical properties of 5-Thiazolecarboxaldehyde,4-methyl-2-(4-morpholinyl)-: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 70.67 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 56.11 cm3; (9)Molar Volume: 163.3 cm3; (10)Polarizability: 22.24×10-24cm3; (11)Surface Tension: 55.9 dyne/cm; (12)Density: 1.299 g/cm3; (13)Flash Point: 183.4 °C; (14)Enthalpy of Vaporization: 62.77 kJ/mol; (15)Boiling Point: 379.7 °C at 760 mmHg; (16)Vapour Pressure: 5.75E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sc(nc1C)N2CCOCC2
(2)InChI: InChI=1/C9H12N2O2S/c1-7-8(6-12)14-9(10-7)11-2-4-13-5-3-11/h6H,2-5H2,1H3
(3)InChIKey: MJRSIYGQMLZBIH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H12N2O2S/c1-7-8(6-12)14-9(10-7)11-2-4-13-5-3-11/h6H,2-5H2,1H3
(5)Std. InChIKey: MJRSIYGQMLZBIH-UHFFFAOYSA-N