chempirical

Pyridine methanesulfonate

C6H9NO3SCAS 39879-60-2175.20 g/mol

Open in Covalent MOL file
SOOOHN
Sulfonic acid

Properties

Molecular formula
C6H9NO3S
Molar mass
175.20 g/mol
Exact mass
175.0303 Da
logP
0.59Crippen estimate
Polar surface area
67.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
39879-60-2
SMILES
CS(=O)(=O)O.C1=CC=NC=C1
InChIKey
BLTAPEIEHGWKKN-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N.CH4O3S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-5H;1H3,(H,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Pyridine methanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methanesulfonic acid75-75-2Free acid Pyridine110-86-1Free base Pyridine-D57291-22-7Free base, labelled Pyridinium p-toluenesulfonate24057-28-1Salt Sulfur trioxide pyridine complex26412-87-3Salt Dihydroergotamine mesylate6190-39-2Salt Pyridinium chloride628-13-7Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Poly(pyridine fluoride)62778-11-4Salt

Similar compounds

3-Pyridinesulfonic acid636-73-732 % similar 4-Pyridinesulphonic acid5402-20-032 % similar Cornforth reagent20039-37-630 % similar Pyridinium chlorochromate26299-14-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Acetyl-4-thiazolidinecarboxylic acid5025-82-1 (4R)-3-Acetyl-4-thiazolidinecarboxylic acid54323-50-1

Elsewhere

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