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CAS No.: | 278183-10-1 |
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Name: | 5-Thiazolecarboxylic acid, 4-amino-, methyl ester |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H6N2O2S |
Molecular Weight: | 158.181 |
Synonyms: | 4-Amino-5-thiazolecarboxylicacid methyl ester;Methyl 4-amino-1,3-thiazole-5-carboxylate;Methyl4-aminothiazole-5-carboxylate;Methyl 4-amino-5-thiazolecarboxylate; |
Density: | 1.408 g/cm3 |
Boiling Point: | 290.503 °C at 760 mmHg |
Flash Point: | 129.492 °C |
PSA: | 93.45000 |
LogP: | 1.09310 |
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The 5-Thiazolecarboxylicacid, 4-amino-, methyl ester, with the CAS registry number 278183-10-1, is also known as 4-Amino-5-thiazolecarboxylicacid methyl ester. It belongs to the product category of Carboxylicester. This chemical's molecular formula is C5H6N2O2S and formula weight is 158.18. What's more, its systematic name is methyl 4-amino-1,3-thiazole-5-carboxylate.
Physical properties of 5-Thiazolecarboxylicacid, 4-amino-, methyl ester are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/BCF (pH 5.5): 6.31; (5)ACD/BCF (pH 7.4): 6.37; (6)ACD/KOC (pH 5.5): 129.75; (7)ACD/KOC (pH 7.4): 130.92; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 93.45 Å2; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 38.73 cm3; (14)Molar Volume: 112.3 cm3; (15)Surface Tension: 62 dyne/cm; (16)Density: 1.408 g/cm3; (17)Flash Point: 129.5 °C; (18)Enthalpy of Vaporization: 52.99 kJ/mol; (19)Boiling Point: 290.5 °C at 760 mmHg; (20)Vapour Pressure: 0.00206 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1scnc1N
(2)InChI: InChI=1S/C5H6N2O2S/c1-9-5(8)3-4(6)7-2-10-3/h2H,6H2,1H3
(3)InChIKey: XQVJYGMYJCSUNF-UHFFFAOYSA-N