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Name |
2-Thiophenecarboxylicacid, 5-amino-3-methyl-, ethyl ester |
EINECS | N/A |
CAS No. | 88796-28-5 | Density | 1.219 g/cm3 |
PSA | 80.56000 | LogP | 2.39660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11NO2S | Boiling Point | 315.4 °C at 760 mmHg |
Molecular Weight | 185.247 | Flash Point | 144.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Amino-3-methyl-2-thiophenecarboxylicacid ethyl ester;Ethyl 5-amino-3-methylthiophene-2-carboxylate; |
Article Data | 3 |
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