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| Name |
3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester |
EINECS | N/A |
| CAS No. | 350988-88-4 | Density | 1.232 g/cm3 |
| PSA | 80.56000 | LogP | 3.67350 |
| Solubility | N/A | Melting Point |
113-114℃ |
| Formula | C13H13NO2S | Boiling Point | 373.8 °C at 760 mmHg |
| Molecular Weight | 247.31 | Flash Point | 179.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xi,Xn |
| Synonyms |
2-Amino-5-methyl-4-phenylthiophene-3-carboxylicacid methyl ester; |
3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester Specification
This chemical is called 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester, and its systematic name is methyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate. With the molecular formula of C13H13NO2S, its molecular weight is 247.31. The CAS registry number of this chemical is 350988-88-4.
Other characteristics of the 3-Thiophenecarboxylicacid, 2-amino-5-methyl-4-phenyl-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.07; (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: 1.615; (8)Molar Refractivity: 70.06 cm3; (9)Molar Volume: 200.6 cm3; (10)Polarizability: 27.77×10-24cm3; (11)Surface Tension: 49.4 dyne/cm; (12)Density: 1.232 g/cm3; (13)Flash Point: 179.9 °C; (14)Enthalpy of Vaporization: 62.11 kJ/mol; (15)Boiling Point: 373.8 °C at 760 mmHg; (16)Vapour Pressure: 8.72E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c2c(c1ccccc1)c(sc2N)C
2.InChI: InChI=1/C13H13NO2S/c1-8-10(9-6-4-3-5-7-9)11(12(14)17-8)13(15)16-2/h3-7H,14H2,1-2H3
3.InChIKey: AIHYNLWSPTZXGT-UHFFFAOYAX
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