Ethyl 2-amino-5-phenylthiophene-3-carboxylate supplier

Name
Ethyl 2-amino-5-phenylthiophene-3-carboxylate
EINECS
CAS No. 4815-34-3
Article Data24
CAS DataBase
Density 1.231 g/cm³
Solubility
Melting Point 117-120 °C
Formula C₁₃H₁₃NO₂S
Boiling Point 415.4 °C at 760 mmHg
Molecular Weight 247.318
Flash Point 205 °C
Transport Information
Appearance
Safety 26-37-60
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-5-phenyl-thiophene-3-carboxylic acid ethyl ester;
PSA 80.56000
LogP 3.75520

Ethyl 2-amino-5-phenylthiophene-3-carboxylate Specification

The Ethyl 2-amino-5-phenylthiophene-3-carboxylate, with the CAS registry number 4815-34-3, is also known as 2-Amino-5-phenyl-thiophene-3-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₃H₁₃NO₂S and molecular weight is 247.3128. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-5-phenylthiophene-3-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Ethyl 2-amino-5-phenylthiophene-3-carboxylate are: (1)ACD/LogP: 4.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 760.81; (6)ACD/BCF (pH 7.4): 760.81; (7)ACD/KOC (pH 5.5): 4018.06; (8)ACD/KOC (pH 7.4): 4018.07; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 69.87 cm³; (15)Molar Volume: 200.8 cm³; (16)Polarizability: 27.69×10^-24cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.231 g/cm³; (19)Flash Point: 205 °C; (20)Enthalpy of Vaporization: 66.85 kJ/mol; (21)Boiling Point: 415.4 °C at 760 mmHg; (22)Vapour Pressure: 4.12E-07 mmHg at 25 °C; (23)Melting Point: 117-120 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(sc1N)c2ccccc2
(2) InChI: InChI=1/C13H13NO2S/c1-2-16-13(15)10-8-11(17-12(10)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
(3) InChIKey: WIVNPGXPJBBZQH-UHFFFAOYAL

Product Name

Ethyl 2-amino-5-phenylthiophene-3-carboxylate

Ethyl 2-amino-5-phenylthiophene-3-carboxylate Specification

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