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CAS No.: | 88534-50-3 |
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Name: | 3-AMINO-5-PHENYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C13H13NO2S |
Molecular Weight: | 247.318 |
Synonyms: | Ethyl3-amino-5-phenylthiophene-2-carboxylate; |
Density: | 1.231 g/cm3 |
Boiling Point: | 449.6 °C at 760 mmHg |
Flash Point: | 225.7 °C |
PSA: | 80.56000 |
LogP: | 3.75520 |
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The 2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, ethyl ester, with its CAS registry number 88534-50-3, has its systematic name of ethyl 3-amino-5-phenylthiophene-2-carboxylate. And this chemical has its molecular formula of C13H13NO2S. Besides, it should be kept in the cool and dry place.
Physical properties of 2-Thiophenecarboxylicacid, 3-amino-5-phenyl-, ethyl ester: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5 ; (6)Polar Surface Area: 57.78 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 69.87 cm3; (9)Molar Volume: 200.8 cm3; (10)Polarizability: 27.69×10-24cm3; (11)Surface Tension: 50 dyne/cm; (12)Density: 1.231 g/cm3; (13)Flash Point: 225.7 °C; (14)Enthalpy of Vaporization: 70.83 kJ/mol; (15)Boiling Point: 449.6 °C at 760 mmHg; (16)Vapour Pressure: 2.82E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(OCC)c2sc(c1ccccc1)cc2N
(2)Std. InChI:InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(14)8-11(17-12)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
(3)Std. InChIKey:ALFMTFUIVUKCCM-UHFFFAOYSA-N