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26112-64-1

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Basic Information
CAS No.: 26112-64-1
Name: 4-Amino-3-thiophenecarboxylic acid
Molecular Structure:
Molecular Structure of 26112-64-1 (4-Amino-3-thiophenecarboxylic acid)
Formula: C5H5NO2S
Molecular Weight: 143.16
Synonyms: 4-amino-3-thiophenecarboxylic acid;
Density: 1.527 g/cm3
Boiling Point: 399 °C at 760 mmHg
Flash Point: 195.1 °C
PSA: 91.56000
LogP: 1.60970
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Specification

The 4-Amino-3-thiophenecarboxylic acid, with CAS registry number 26112-64-1, has the systematic name of 4-aminothiophene-3-carboxylic acid. And the chemical formula of this chemical is C5H5NO2S. And its molecular weight is 143.16.

Physical properties of 4-Amino-3-thiophenecarboxylic acid: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.83; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.78 Å2; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 35.8 cm3; (13)Molar Volume: 93.7 cm3; (14)Polarizability: 14.19×10-24cm3; (15)Surface Tension: 77.8 dyne/cm; (16)Enthalpy of Vaporization: 68.51 kJ/mol; (17)Vapour Pressure: 4.4E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(N)csc1
(2)InChI: InChI=1/C5H5NO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,6H2,(H,7,8)
(3)InChIKey: MJYGDBMTPPBJHJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H5NO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,6H2,(H,7,8)
(5)Std. InChIKey: MJYGDBMTPPBJHJ-UHFFFAOYSA-N