2-Mercaptopyridine N-oxide

C5H5NOSCAS 1121-31-9127.16 g/mol

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O−N+HS
Thiol

Properties

Molecular formula
C5H5NOS
Molar mass
127.16 g/mol
Exact mass
127.0092 Da
Melting point
70–73 °C
logP
0.61Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
1121-31-9
SMILES
[O-][n+]1ccccc1S
InChIKey
FGVVTMRZYROCTH-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H

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Names and synonyms

7 names
  • 2-Pyridinethiol, 1-oxide
  • 2-Mercaptopyridine 1-oxide
  • 2-Mercaptopyridine monoxide
  • 2-Pyridinethiol N-oxide
  • Omadine
  • 2-Mercaptopyridine oxide
  • 2-Sulfanylpyridin-1-ium-1-olate

Work with 2-Mercaptopyridine N-oxide

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.

Sodium pyrithione3811-73-2Salt

Similar compounds

2-Hydroxypyridine N-oxide13161-30-348 % similar 2-Chloropyridine N-oxide2402-95-148 % similar Dipyrithione3696-28-448 % similar 2-Methylpyridine 1-oxide931-19-148 % similar Chloride 2-chloropyridinium 1-oxide20295-64-143 % similar 2-Bromopyridine N-oxide hydrobromide206860-49-343 % similar 2-Bromopyridine N-oxide hydrochloride80866-91-743 % similar Quinoline 1-oxide1613-37-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylthiazole-5-carbaldehyde1003-60-7 4-Methyl-1,3-thiazole-2-carbaldehyde13750-68-0 4-Cyano-3-tetrahydrothiophenone16563-14-7 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-2 2-Acetylthiazole24295-03-2 Thiophene-2-aldoxime29683-84-9 2-Thiophenecarboxamide5813-89-8 4-Methylthiazole-5-carboxaldehyde82294-70-0

Elsewhere

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