Molecular Structure of 2-Aminobenzothiazole-7-carboxylic acid (CAS No.71224-95-8):
Molecular Formula: C8H6N2O2S
Molecular Weight: 194.21
CAS No: 71224-95-8
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 1
Polar Surface Area: 104.45 Å2
Index of Refraction: 1.799
Molar Refractivity: 51.73 cm3
Molar Volume: 121 cm3
Surface Tension: 93.4 dyne/cm
Density: 1.604 g/cm3
Flash Point: 236 °C
Enthalpy of Vaporization: 76.75 kJ/mol
Boiling Point: 466.6 °C at 760 mmHg
Vapour Pressure: 1.65E-09 mmHg at 25°C
InChI: InChI=1/C8H6N2O2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
InChIKey: VTUAYVWUPOHGAU-UHFFFAOYAY
Std. InChI: InChI=1S/C8H6N2O2S/c9-8-10-5-3-1-2-4(7(11)12)6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
Std. InChIKey: VTUAYVWUPOHGAU-UHFFFAOYSA-N
Systematic Name: 2-Amino-1,3-benzothiazole-7-carboxylic acid
Product Categories: Benzothiazole
2-Aminobenzothiazole-7-carboxylic acid (CAS No.71224-95-8), its synonyms are 2-Amino-1,3-benzothiazole-7-carboxylic acid ; 7-Benzothiazolecarboxylic acid, 2-amino- .
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