CAS No.18903-18-9,5-Aminothiazole-4-carboxylic acid ethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18903-18-9
Name:	5-Aminothiazole-4-carboxylic acid ethyl ester
Article Data:	19

Formula:	C₆H₈N₂O₂S
Molecular Weight:	172.208
Synonyms:	5-Aminothiazole-4-carboxylicacid ethyl ester;Ethyl 5-amino-1,3-thiazole-4-carboxylate;Ethyl5-amino-4-thiazolecarboxylate;
Density:	1.337 g/cm³
Melting Point:	163.5 °C
Boiling Point:	300.666 °C at 760 mmHg
Flash Point:	135.638 °C
PSA:	93.45000
LogP:	1.48320

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Specification

The 4-Thiazolecarboxylicacid, 5-amino-, ethyl ester, with the CAS registry number 18903-18-9, is also known as 5-Aminothiazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C₆H₈N₂O₂S and molecular weight is 172.20492. What's more, its systematic name is called Ethyl 5-amino-1,3-thiazole-4-carboxylate.

Physical properties about 4-Thiazolecarboxylicacid, 5-amino-, ethyl ester are: (1) ACD/LogP: 1.42; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1; (4) ACD/LogD (pH 7.4): 1; (5) ACD/BCF (pH 5.5): 2; (6) ACD/BCF (pH 7.4): 2; (7) ACD/KOC (pH 5.5): 64; (8) ACD/KOC (pH 7.4): 64; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 93.45 Å²; (13) Index of Refraction: 1.588; (14) Molar Refractivity: 43.371 cm³; (15) Molar Volume: 128.816 cm³; (16) Surface Tension: 57.712 dyne/cm; (17) Density: 1.337 g/cm³; (18) Flash Point: 135.638 °C; (19) Enthalpy of Vaporization: 54.075 kJ/mol; (20) Boiling Point: 300.666 °C at 760 mmHg; (21) Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1scnc1C(=O)OCC
(2) InChI: InChI=1/C6H8N2O2S/c1-2-10-6(9)4-5(7)11-3-8-4/h3H,2,7H2,1H3
(3) InChIKey: AZDIMLOSMFZQLP-UHFFFAOYAI