5-Benzothiazolecarboxylicacid, 2-amino- (101084-95-1)

The 2-Amino-5-benzothiazolecarboxylic acid with its cas register number is 101084-95-1. It also can be called as 5-Benzothiazolecarboxylicacid, 2-amino- and the IUPAC name about this chemical is 2-amino-1,3-benzothiazole-5-carboxylic acid. It belongs to the following product categories, such as benzothiazole and aminoacid.

Physical properties about 2-Amino-5-benzothiazolecarboxylic acid are: (1)ACD/LogP: 1.57; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.07; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 104.45Ų; (10)Index of Refraction: 1.799; (11)Molar Refractivity: 51.73 cm³; (12)Molar Volume: 121 cm³; (13)Polarizability: 20.51x10^-24cm³; (14)Surface Tension: 93.4 dyne/cm; (15)Enthalpy of Vaporization: 76.75 kJ/mol; (16)Vapour Pressure: 1.65E-09 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1C(=O)O)N=C(S2)N
(2)InChI: InChI=1S/C8H6N2O2S/c9-8-10-5-3-4(7(11)12)1-2-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)
(3)InChIKey: RPSPJTVLMPMYKL-UHFFFAOYSA-N