Ethyl 5-amino-1-benzothiophene-2-carboxylate supplier

Name
ETHYL 5-AMINO-1-BENZOTHIOPHENE-2-CARBOXYLATE
EINECS
CAS No. 25785-10-8
Article Data19
CAS DataBase
Density 1.303g/cm³
Solubility
Melting Point 92-95°C
Formula C₁₁H₁₁NO₂S
Boiling Point 391.5 °C at 760 mmHg
Molecular Weight 221.28
Flash Point 190.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-1-benzothiophene-2-carboxylicacid ethyl ester;5-Aminobenzo[b]thiophene-2-carboxylic acid ethyl ester;Ethyl5-aminobenzo[b]thiophene-2-carboxylate;
PSA 80.56000
LogP 3.24140

Ethyl 5-amino-1-benzothiophene-2-carboxylate Specification

This chemical is called Ethyl 5-amino-1-benzothiophene-2-carboxylate, and it can also be named as Benzo[b]thiophene-2-carboxylic acid, 5-amino-, ethyl ester. With the molecular formula of C₁₁H₁₁NO₂S, its molecular weight is 221.28. The CAS registry number of this chemical is 25785-10-8.

Other characteristics of the Ethyl 5-amino-1-benzothiophene-2-carboxylate can be summarised as followings: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 321.64; (6)ACD/BCF (pH 7.4): 324.53; (7)ACD/KOC (pH 5.5): 2164.04; (8)ACD/KOC (pH 7.4): 2183.49; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 63.12 cm³; (15)Molar Volume: 169.7 cm³; (16)Polarizability: 25.02×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 190.6 °C; (20)Enthalpy of Vaporization: 64.11 kJ/mol; (21)Boiling Point: 391.5 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c2sc1ccc(cc1c2)N
2.InChI: InChI=1/C11H11NO2S/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3
3.InChIKey: CHFISKGSWVIUIX-UHFFFAOYAP

Product Name

ETHYL 5-AMINO-1-BENZOTHIOPHENE-2-CARBOXYLATE

Ethyl 5-amino-1-benzothiophene-2-carboxylate Specification

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