Oxazolo[4,5-b]pyridine-2(3H)-thione (53052-06-5)

The [1,3]Oxazolo[4,5-b]pyridine-2-thiol with its cas register number is 53052-06-5. It also can be called as Oxazolo[4,5-b]pyridin-2(3H)-thione and the Systematic name about this chemical is [1,3]oxazolo[4,5-b]pyridine-2(3H)-thione. When you are using it, please avoid contact with skin and eyes.

Physical properties about [1,3]Oxazolo[4,5-b]pyridine-2-thiol are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.93; (5)ACD/BCF (pH 7.4): 1.92; (6)ACD/KOC (pH 5.5): 55.7; (7)ACD/KOC (pH 7.4): 55.36; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10) Polar Surface Area: 57.45Ų; (11)Index of Refraction: 1.729; (12)Molar Refractivity: 39.63 cm³; (13)Molar Volume: 99.3 cm³; (14)Polarizability: 15.71x10^-24cm³; (15)Surface Tension: 86.5 dyne/cm; (16)Enthalpy of Vaporization: 52.31 kJ/mol; (17)Vapour Pressure: 0.00303 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Oc1cccnc1N2
(2)InChI: InChI=1/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)
(3)InChIKey: BRSZJWYJYOGBGK-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)
(5)Std. InChIKey: BRSZJWYJYOGBGK-UHFFFAOYSA-N