chempirical

4-Mercaptopyridine

C5H5NSCAS 4556-23-4111.16 g/mol

Open in Covalent MOL file
SNH

Properties

Molecular formula
C5H5NS
Molar mass
111.16 g/mol
Exact mass
111.0143 Da
Melting point
177 °C (decomposes)
logP
1.74Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
4556-23-4
SMILES
S=c1cc[nH]cc1
InChIKey
FHTDDANQIMVWKZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

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

Names and synonyms

4 names
  • 4-Pyridinethiol
  • 4-Thiopyridine
  • 4-Sulfanylpyridine
  • NSC 76036

Work with 4-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

Similar compounds

4-Pyridone108-96-340 % similar 4-Aminopyridine504-24-540 % similar 4-Hydroxypyridine626-64-240 % similar 4-(Methylamino)pyridine1121-58-035 % similar 3-Methylpyrrole616-43-332 % similar

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

Same formula

2-Mercaptopyridine2637-34-5 2-Mercaptopyridine73018-10-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook