Pyridinium,1-methyl-3-sulfo-, inner salt supplier

Name
1-methyl-3-sulphonatopyridinium
EINECS 244-626-4
CAS No. 21876-47-1
Density
Solubility
Melting Point
Formula C₆H₇NO₃S
Boiling Point
Molecular Weight 173.192
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-3-sulfopyridiniumhydroxide, inner salt (7CI);Pyridinium, 1-methyl-3-sulfo-, hydroxide, innersalt (8CI);1-Methyl-3-sulfopyridinium betaine;1-Methylpyridinium-3-sulfonate;N-Methylpyridine-3-sulfonic acid betaine;NSC 158053;
PSA 69.46000
LogP 0.49600

Pyridinium,1-methyl-3-sulfo-, inner salt Specification

The Pyridinium, 1-methyl-3-sulfo-, inner salt, with the CAS registry number 21876-47-1, is also known as 1-Methylpyridinium-3-sulfonate. And its EINECS registry number is 244-626-4. This chemical's molecular formula is C₆H₇NO₃S and molecular weight is 173.19. What's more, its IUPAC name is 1-Methylpyridin-1-ium-3-sulfonate.

Physical properties about Pyridinium, 1-methyl-3-sulfo-, inner salt are: (1)ACD/LogP: -5.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.34; (4)ACD/LogD (pH 7.4): -5.34; (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: 66.63 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: O=S([O-])(=O)c1ccc[n+](c1)C
(2) InChI: InChI=1/C6H7NO3S/c1-7-4-2-3-6(5-7)11(8,9)10/h2-5H,1H3
(3) InChIKey: AVYIOHJNFRTXIT-UHFFFAOYAC

Product Name

1-methyl-3-sulphonatopyridinium

Pyridinium,1-methyl-3-sulfo-, inner salt Specification

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