CAS No.321438-86-2,2-(METHYLTHIO)-5-PYRIDINYL-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	321438-86-2
Name:	2-(METHYLTHIO)-5-PYRIDINYL-BORONIC ACID

Formula:	C₆H₈BNO₂S
Molecular Weight:	169.012
Synonyms:	(6-Methylsulfanylpyridin-3-yl)boronicacid;
Density:	1.298 g/cm³
Melting Point:	151-154 °C
Boiling Point:	368 °C at 760 mmHg
Flash Point:	176.4 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	78.65000
LogP:	-0.51670

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Specification

The CAS register number of 2-(Methylthio)-pyridine-5-boronic acid is 321438-86-2. It also can be called as Boronic acid, B-[6-(methylthio)-3-pyridinyl]- and the systematic name about this chemical is [6-(methylsulfanyl)pyridin-3-yl]boronic acid. The molecular formula about this chemical is C₆H₈BNO₂S and the molecular weight is 169.01. It belongs to the Pyridines.

Physical properties about 2-(Methylthio)-pyridine-5-boronic acid are: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 0.97; (3)ACD/LogD (pH 7.4): -0.3; (4)ACD/BCF (pH 5.5): 3.03; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 71.43; (7)ACD/KOC (pH 7.4): 3.81; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 56.65Å²; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 43.72 cm³; (14)Molar Volume: 130.2 cm³; (15)Polarizability: 17.33x10^-24cm³; (16)Surface Tension: 57.1 dyne/cm; (17)Enthalpy of Vaporization: 64.85 kJ/mol; (18)Boiling Point: 368 °C at 760 mmHg; (19)Vapour Pressure: 4.58E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ncc(B(O)O)cc1)C
(2)InChI: InChI=1/C6H8BNO2S/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
(3)InChIKey: UXWKVPJOPVIIRU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H8BNO2S/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
(5)Std. InChIKey: UXWKVPJOPVIIRU-UHFFFAOYSA-N