2-Mercaptopyridine

C5H5NSCAS 73018-10-7111.16 g/mol

Open in Covalent MOL file
HSN
Thiol

Properties

Molecular formula
C5H5NS
Molar mass
111.16 g/mol
Exact mass
111.0143 Da
logP
1.37Crippen estimate
Polar surface area
12.9 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
73018-10-7
SMILES
Sc1ccccn1
InChIKey
WHMDPDGBKYUEMW-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

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Names and synonyms

1 names
  • 2-Pyridinethiol

Work with 2-Mercaptopyridine

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.

2-Mercaptopyridine2637-34-5

Similar compounds

2,2'-Bipyridine366-18-748 % similar 2-Phenylpyridine1008-89-546 % similar Thiophenol108-98-545 % similar 2-Pyridinemethanethiol2044-73-742 % similar 2-Bromopyridine109-04-642 % similar 2-Methylpyridine109-06-842 % similar 2-Chloropyridine109-09-142 % similar 2,2′-Dipyridylamine1202-34-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Mercaptopyridine4556-23-4

Elsewhere

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