2-(Methylsulfonyl)pyridine supplier

Name
2-(methylsulfonyl)pyridine
EINECS
CAS No. 17075-14-8
Article Data37
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₆H₇NO₂S
Boiling Point 340.9 °C at 760 mmHg
Molecular Weight 157.193
Flash Point 160 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylsulfonyl)pyridine;NSC 158294;
PSA 55.41000
LogP 1.56590

2-(Methylsulfonyl)pyridine Specification

The IUPAC name of 2-(Methylsulfonyl)pyridine is 2-methylsulfonylpyridine. With the CAS registry number 17075-14-8, it is also named as Pyridine, 2-(methylsulfonyl)-. In addition, its molecular formula is C₆H₇NO₂S and molecular weight is 157.19.

The other characteristics of 2-(Methylsulfonyl)pyridine can be summarized as: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.87; (8)ACD/KOC (pH 7.4): 6.87; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.41 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 37.99 cm³; (15)Molar Volume: 124.4 cm³; (16)Polarizability: 15.06×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.263 g/cm³; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 56.14 kJ/mol; (21)Boiling Point: 340.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000165 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(c1ncccc1)C
(2)InChI: InChI=1/C6H7NO2S/c1-10(8,9)6-4-2-3-5-7-6/h2-5H,1H3
(3)InChIKey: PCLKVJBRTCQNDU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H7NO2S/c1-10(8,9)6-4-2-3-5-7-6/h2-5H,1H3
(5)Std. InChIKey: PCLKVJBRTCQNDU-UHFFFAOYSA-N

Product Name

2-(methylsulfonyl)pyridine

2-(Methylsulfonyl)pyridine Specification

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