Name: 3-Methylpyridine-4-sulfonic acid
SKU: 14045-23-9

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Basic Information

Molecular Structure:
CAS No.:	14045-23-9
Name:	3-Methylpyridine-4-sulfonic acid
Article Data:	3

Formula:	C₆H₇NO₃S
Molecular Weight:	173.192
Synonyms:	4-Pyridinesulfonic acid, 3-methyl-;
Density:	1.422 g/cm³
PSA:	75.64000
LogP:	1.71750

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Specification

The 3-Methylpyridine-4-sulfonic acid, with the CAS registry number 14045-23-9, has the systematic name of 4-Pyridinesulfonic acid, 3-methyl-. It belongs to the product category of Pyridines. And the molecular formula of this chemical is C₆H₇NO₃S.

The physical properties of 3-Methylpyridine-4-sulfonic acid are as following: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.98; (4)ACD/LogD (pH 7.4): -4.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.64 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 39.52 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 15.66×10^-24cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.422 g/cm³.

Preparation of 3-Methylpyridine-4-sulfonic acid: This chemical can be prepared by bis-(3-methyl-[4]pyridyl)-disulfide. The reaction will need reagent CH₃COOH and 30% H₂O₂, and solvent H₂O. The reaction time is 0.5 hours with heating, and the yield is about 48%.

3-Methylpyridine-4-sulfonic acid can be prepared by bis-(3-methyl-[4]pyridyl)-disulfide

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccncc1C
(2)InChI: InChI=1/C6H7NO3S/c1-5-4-7-3-2-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)
(3)InChIKey: YLZRQBQLRFXQPL-UHFFFAOYAP