2-Thiophenecarboxylicacid, 5-amino-, methyl ester (14597-58-1)

The 5-Aminothiophene-2-carboxylic acid methyl ester, with cas registry number 14597-58-1, has the systematic name of methyl 5-aminothiophene-2-carboxylate. And its IUPAC name is the same one. Besides this, it is also called 2-thiophenecarboxylic acid, 5-amino-, methyl ester.

Physical properties about this chemical are:  (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.73; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 51.52; (8)ACD/KOC (pH 7.4): 51.52; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 40.64 cm³; (15)Molar Volume: 119 cm³; (16)Polarizability: 16.11×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Enthalpy of Vaporization: 54.52 kJ/mol; (19)Vapour Pressure: 0.000855 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OC)c1sc(N)cc1
(2)InChI: InChI=1/C6H7NO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
(3)InChIKey: NNQTUMGJWXJMIR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
(5)Std. InChIKey: NNQTUMGJWXJMIR-UHFFFAOYSA-N