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Methyl 2-aminothiazole-5-carboxylate

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Name

Methyl 2-aminothiazole-5-carboxylate

EINECS 640-111-7
CAS No. 6633-61-0 Density 1.408 g/cm3
PSA 93.45000 LogP 1.09310
Solubility N/A Melting Point 182-186 °C
Formula C5H6N2O2S Boiling Point 298.731 °C at 760 mmHg
Molecular Weight 158.181 Flash Point 134.468 °C
Transport Information N/A Appearance orange yellow solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6633-61-0 (5-Thiazolecarboxylic acid, 2-amino-, methyl ester) Hazard Symbols N/A
Synonyms

2-Amino-5-(methoxycarbonyl)thiazole;2-Aminothiazole-5-carboxylic acid methyl ester;Methyl 2-amino-5-thiazolecarboxylate;NSC 42123;Methyl 2-aminothiazole-5-carboxylate;

Article Data 9

Methyl 2-aminothiazole-5-carboxylate Specification

The Methyl 2-aminothiazole-5-carboxylate, with the CAS registry number 6633-61-0, is also known as 2-Aminothiazole-5-carboxylic acid methyl ester. It belongs to the product categories of Amines; Blocks; Carboxes; Thiazoles; Amino Acids and Derivatives; Heterocycles; Aromatics; Miscellaneous Reagents; Sulfur & Selenium Compounds. This chemical's molecular formula is C5H6N2O2S and molecular weight is 158.18. What's more, its systematic name is Methyl 2-amino-1,3-thiazole-5-carboxylate. 

Physical properties of Methyl 2-aminothiazole-5-carboxylate are: (1)ACD/LogP: -0.347; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 15.37; (8)ACD/KOC (pH 7.4): 15.42; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 93.45 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 38.738 cm3; (15)Molar Volume: 112.31 cm3; (16)Polarizability: 15.357×10-24cm3; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.408 g/cm3; (19)Flash Point: 134.468 °C; (20)Enthalpy of Vaporization: 53.867 kJ/mol; (21)Boiling Point: 298.731 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1sc(nc1)N
(2)Std. InChI: InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3,(H2,6,7)
(3)Std. InChIKey: UJNNCGWBDJHCEM-UHFFFAOYSA-N  

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