| Specification: |
This chemical is called Methyl 2-amino-4-phenylthiophene-3-carboxylate, and it can also be named as 2-Amino-4-phenylthiophene-3-carboxylic acid methyl ester. With the molecular formula of C12H11NO2S, its molecular weight is 233.29. In addition, the CAS registry number of this chemical is 67171-55-5.
Other characteristics of the Methyl 2-amino-4-phenylthiophene-3-carboxylate can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 57.78 Å2; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 65.23 cm3; (9)Molar Volume: 184.3 cm3; (10)Polarizability: 25.86×10-24cm3; (11)Surface Tension: 51.7 dyne/cm; (12)Density: 1.265 g/cm3; (13)Flash Point: 183.3 °C; (14)Enthalpy of Vaporization: 62.75 kJ/mol; (15)Boiling Point: 379.5 °C at 760 mmHg; (16)Vapour Pressure: 5.83E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2c(scc2c1ccccc1)N
(2)InChI: InChI=1/C12H11NO2S/c1-15-12(14)10-9(7-16-11(10)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(3)InChIKey: KHNSKPUYBBZGLW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H11NO2S/c1-15-12(14)10-9(7-16-11(10)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(5)Std. InChIKey: KHNSKPUYBBZGLW-UHFFFAOYSA-N
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