Boronic acid,[5-(methylthio)-3-pyridinyl]- (9CI) (477251-98-2)

The cas register number of 5-(Methylthio)pyridine-3-boronic acid is 477251-98-2. It also can be called as boronic acid, B-[5-(methylthio)-3-pyridinyl]- and the systematic name about this chemical is [5-(methylsulfanyl)pyridin-3-yl]boronic acid.

Physical properties about 5-(Methylthio)pyridine-3-boronic acid are: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 78.65Ų; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 43.726 cm³; (14)Molar Volume: 130.202 cm³; (15)Surface Tension: 57.12 dyne/cm; (16)Density: 1.298 g/cm³; (17)Flash Point: 182.443 °C; (18)Enthalpy of Vaporization: 66.026 kJ/mol; (19)Boiling Point: 378.058 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: CSc1cc(cnc1)B(O)O
2.InChI: InChI=1/C6H8BNO2S/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3 
3.InChIKey: QNLQSEKMIZSQOG-UHFFFAOYAG
4.Std. InChI: InChI=1S/C6H8BNO2S/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3