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CAS No.: | 82437-64-7 |
---|---|
Name: | Methyl 3-amino-4-phenylthiophene-2-carboxylate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H11NO2S |
Molecular Weight: | 233.291 |
Synonyms: | Methyl3-amino-4-phenylthiophene-2-carboxylate; |
Density: | 1.265 g/cm3 |
Melting Point: | 69 °C |
Boiling Point: | 381.6 °C at 760 mmHg |
Flash Point: | 184.6 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 24/25 |
PSA: | 80.56000 |
LogP: | 3.36510 |
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The Methyl 3-amino-4-phenylthiophene-2-carboxylate with its cas register number is 82437-64-7. It also can be called as 3-Amino-4-phenyl-2-thiophenecarboxylic acid methyl ester and the Systematic name about this chemical is methyl 3-amino-4-phenylthiophene-2-carboxylate.
Physical properties about Methyl 3-amino-4-phenylthiophene-2-carboxylate are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 3.66; (3)ACD/LogD (pH 7.4): 3.66; (4)ACD/BCF (pH 5.5): 356.98; (5)ACD/BCF (pH 7.4): 356.99; (6)ACD/KOC (pH 5.5): 2337.66; (7)ACD/KOC (pH 7.4): 2337.75; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 57.78Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 65.23 cm3; (14)Molar Volume: 184.3 cm3; (15)Polarizability: 25.86x10-24cm3; (16)Surface Tension: 51.7 dyne/cm; (17)Enthalpy of Vaporization: 62.99 kJ/mol; (18)Vapour Pressure: 5.02E-06 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2scc(c1ccccc1)c2N
(2)InChI: InChI=1/C12H11NO2S/c1-15-12(14)11-10(13)9(7-16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(3)InChIKey: UKWKMKNACSKDCN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H11NO2S/c1-15-12(14)11-10(13)9(7-16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(5)Std. InChIKey: UKWKMKNACSKDCN-UHFFFAOYSA-N