Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-amino-4-phenylthiophene-2-carboxylate |
EINECS | N/A |
CAS No. | 82437-64-7 | Density | 1.265 g/cm3 |
PSA | 80.56000 | LogP | 3.36510 |
Solubility | N/A | Melting Point |
69 °C |
Formula | C12H11NO2S | Boiling Point | 381.6 °C at 760 mmHg |
Molecular Weight | 233.291 | Flash Point | 184.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Methyl3-amino-4-phenylthiophene-2-carboxylate; |
Article Data | 8 |
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