2,7-Benzothiazolediamine (100958-73-4)

The 2,7-Diaminobenzothiazole, its cas register number is 100958-73-4. It also can be called as 2,7-Benzothiazolediamine and the Systematic name about this chemical is 1,3-benzothiazole-2,6-diamine. It belongs to the benzothiazole.

Physical properties about 2,7-Diaminobenzothiazole are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1.32; (5)ACD/BCF (pH 7.4): 1.71; (6)ACD/KOC (pH 5.5): 39.42; (7)ACD/KOC (pH 7.4): 50.95; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 47.61Ų; (12)Index of Refraction: 1.838; (13)Molar Refractivity: 49.04 cm³; (14)Molar Volume: 110.8 cm³; (15)Polarizability: 19.44x10^-24cm³; (16)Surface Tension: 88.7 dyne/cm; (17)Enthalpy of Vaporization: 65.58 kJ/mol; (18)Vapour Pressure: 9.49E-07 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccc(cc2sc1N)N
(2)InChI: InChI=1/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
(3)InChIKey: HYBCFWFWKXJYFT-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H7N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,8H2,(H2,9,10)
(5)Std. InChIKey: HYBCFWFWKXJYFT-UHFFFAOYSA-N