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4815-37-6

Basic Information
CAS No.: 4815-37-6
Name: ETHYL 2-AMINO-5-METHYL-4-PHENYLTHIOPHENE-3-CARBOXYLATE
Article Data: 9
Molecular Structure:
Molecular Structure of 4815-37-6 (ETHYL 2-AMINO-5-METHYL-4-PHENYLTHIOPHENE-3-CARBOXYLATE)
Formula: C14H15NO2S
Molecular Weight: 261.345
Synonyms: 2-Amino-3-carboethoxy-5-methyl-4-phenylthiophene;Ethyl 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylate;
Density: 1.203 g/cm3
Melting Point: 92 °C
Boiling Point: 386.7 °C at 760 mmHg
Flash Point: 187.6 °C
Hazard Symbols: IrritantXi
PSA: 80.56000
LogP: 4.06360
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Specification

This chemical is called Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate, and it can also be named as 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, ethyl ester. With the molecular formula of C14H15NO2S, its molecular weight is 261.34. The CAS registry number of this chemical is 4815-37-6.

Other characteristics of the Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate can be summarised as followings: (1)ACD/LogP: 3.60; (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: 1.604; (8)Molar Refractivity: 74.69 cm3; (9)Molar Volume: 217.1 cm3; (10)Polarizability: 29.61×10-24cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.203 g/cm3; (13)Flash Point: 187.6 °C; (14)Enthalpy of Vaporization: 63.56 kJ/mol; (15)Boiling Point: 386.7 °C at 760 mmHg; (16)Vapour Pressure: 3.48E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c2c(c1ccccc1)c(sc2N)C
2.InChI: InChI=1/C14H15NO2S/c1-3-17-14(16)12-11(9(2)18-13(12)15)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3
3.InChIKey: SXONDAWSQJWZEO-UHFFFAOYAW