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Basic Information
CAS No.: 126533-97-9
Name: 2-Morpholin-4-yl-1,3-thiazole-4-carboxaldehyde
Molecular Structure:
Molecular Structure of 126533-97-9 (2-Morpholin-4-yl-1,3-thiazole-4-carboxaldehyde)
Formula: C8H10N2O2S
Molecular Weight: 198.2422
Synonyms: 2-Morpholinothiazole-4-carbaldehyde;
EINECS: 200-258-5
Density: 1.347 g/cm3
Melting Point: 103.5-106.5 °C
Boiling Point: 366.6 °C at 760 mmHg
Flash Point: 175.5 °C
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 70.67000
LogP: 0.85720
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  • 2-MORPHOLINOTHIAZOLE-4-CARBALDEHYDE  CAS NO.126533-97-9

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Specification

The 4-Thiazolecarboxaldehyde, 2-(4-morpholinyl)-, with the CAS registry number of 126533-97-9, is also known as 2-Morpholino-1, 3-thiazole-4-carbaldehyde. This chemical's molecular formula is C8H10N2O2S and molecular weight is 198.2422. What's more, its systematic name is called 2-Morpholin-4-yl-1, 3-thiazole-4-carbaldehyde.

Physical properties about 4-Thiazolecarboxaldehyde, 2-(4-morpholinyl)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.55; (5)ACD/KOC (pH 7.4): 8.56; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 70.67 Å2; (10)Index of Refraction: 1.614; (11)Molar Refractivity: 51.29 cm3; (12)Molar Volume: 147.1 cm3; (13)Surface Tension: 59.5 dyne/cm; (14)Density: 1.347 g/cm3; (15)Flash Point: 175.5 °C; (16)Enthalpy of Vaporization: 61.3 kJ/mol; (17)Boiling Point: 366.6 °C at 760 mmHg; (18)Vapour Pressure: 1.45E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1csc(n1)N2CCOCC2
(2) InChI: InChI=1/C8H10N2O2S/c11-5-7-6-13-8(9-7)10-1-3-12-4-2-10/h5-6H,1-4H2
(3) InChIKey: JPJSUXPYPAQDDL-UHFFFAOYAQ