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| CAS No.: | 6633-61-0 |
|---|---|
| Name: | Methyl 2-aminothiazole-5-carboxylate |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H6N2O2S |
| Molecular Weight: | 158.181 |
| 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; |
| EINECS: | 640-111-7 |
| Density: | 1.408 g/cm3 |
| Melting Point: | 182-186 °C |
| Boiling Point: | 298.731 °C at 760 mmHg |
| Flash Point: | 134.468 °C |
| Appearance: | orange yellow solid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 93.45000 |
| LogP: | 1.09310 |
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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