3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylic acid supplier

Name
3-amino-5-(4-chlorophenyl)-2-thiophenecarboxylic acid
EINECS 1312995-182-4
CAS No. 187949-86-6
Article Data6
CAS DataBase
Density 1.483g/cm³
Solubility
Melting Point
Formula C₁₁H₈ClNO₂S
Boiling Point 507.261 °C at 760 mmHg
Molecular Weight 253.709
Flash Point 260.582 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylicacid;
PSA 91.56000
LogP 3.93010

3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylic acid Specification

The 3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylic acid with cas registry number of 187949-86-6, has the systematic name of 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.56 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 65.29 cm³; (15)Molar Volume: 170.958 cm³; (16)Polarizability: 25.883×10^-24cm³; (17)Surface Tension: 66.187 dyne/cm; (18)Enthalpy of Vaporization: 81.85 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2sc(c1ccc(Cl)cc1)cc2N;
(2)InChI: InChI=1/C11H8ClNO2S/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H,14,15);
(3)InChIKey: HTTXGCKIKMLVMR-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C11H8ClNO2S/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H,14,15);
(5)Std. InChIKey: HTTXGCKIKMLVMR-UHFFFAOYSA-N

Product Name

3-amino-5-(4-chlorophenyl)-2-thiophenecarboxylic acid

3-Amino-5-(4-chlorophenyl)thiophene-2-carboxylic acid Specification

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