chempirical

2,3,5,6-Tetrachloro-4-pyridinethiol

C5HCl4NSCAS 10351-06-1248.93 g/mol

Open in Covalent MOL file
SHClClNClCl
Aryl halideThiol

Properties

Molecular formula
C5HCl4NS
Molar mass
248.93 g/mol
Exact mass
246.8584 Da
Melting point
164–165 °C
logP
3.98Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
10351-06-1
SMILES
Sc1c(Cl)c(Cl)nc(Cl)c1Cl
InChIKey
LVUQDNJRAHUUSB-UHFFFAOYSA-N
InChI
InChI=1S/C5HCl4NS/c6-1-3(11)2(7)5(9)10-4(1)8/h(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • 4-Pyridinethiol, 2,3,5,6-tetrachloro-
  • 2,3,5,6-Tetrachloro-4-mercaptopyridine
  • 2,3,5,6-Tetrachloro-4-pyridyl mercaptan
  • Tetrachloropyridine-4-thiol
  • 2,3,5,6-Tetrachloro-1H-pyridine-4-thione

Work with 2,3,5,6-Tetrachloro-4-pyridinethiol

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

Pentachloropyridine2176-62-758 % similar Pentachlorobenzenethiol133-49-353 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-145 % similar Davicil13108-52-638 % similar 2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine1134-04-936 % similar 2,3,4,6-Tetrachloropyridine14121-36-936 % similar 4,5,6-Trichloropyrimidine1780-27-433 % similar 2,3,5,6-Tetrachloropyridine2402-79-133 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook