CAS No.88796-28-5,5-AMINO-3-METHYL-2-THIOPHENECARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	88796-28-5
Name:	5-AMINO-3-METHYL-2-THIOPHENECARBOXYLIC ACID ETHYL ESTER
Article Data:	3

Formula:	C₈H₁₁NO₂S
Molecular Weight:	185.247
Synonyms:	5-Amino-3-methyl-2-thiophenecarboxylicacid ethyl ester;Ethyl 5-amino-3-methylthiophene-2-carboxylate;
Density:	1.219 g/cm³
Boiling Point:	315.4 °C at 760 mmHg
Flash Point:	144.5 °C
PSA:	80.56000
LogP:	2.39660

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Specification

The 2-Thiophenecarboxylicacid, 5-amino-3-methyl-, ethyl ester is an organic compound with the formula C₈H₁₁NO₂S. The IUPAC name of this chemical is ethyl 5-amino-3-methylthiophene-2-carboxylate. With the CAS registry number 88796-28-5, it is also named as ethyl 5-amino-3-methylthiophene-2-carboxylate.

Physical properties about 2-Thiophenecarboxylicacid, 5-amino-3-methyl-, ethyl ester are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.81; (5)ACD/BCF (pH 7.4): 9.81; (6)ACD/KOC (pH 5.5): 178.38; (7)ACD/KOC (pH 7.4): 178.38; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 57.78 Å²; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 50.1 cm³; (14)Molar Volume: 151.8 cm³; (15)Polarizability: 19.86×10^-24cm³; (16)Surface Tension: 47.4 dyne/cm; (17)Density: 1.219 g/cm³; (18)Flash Point: 144.5 °C; (19)Enthalpy of Vaporization: 55.66 kJ/mol; (20)Boiling Point: 315.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000439 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1sc(N)cc1C
(2)InChI: InChI=1/C8H11NO2S/c1-3-11-8(10)7-5(2)4-6(9)12-7/h4H,3,9H2,1-2H3
(3)InChIKey: QMRFJZLWZKXXEH-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H11NO2S/c1-3-11-8(10)7-5(2)4-6(9)12-7/h4H,3,9H2,1-2H3
(5)Std. InChIKey: QMRFJZLWZKXXEH-UHFFFAOYSA-N