chempirical

Pentafluorothiophenol

C6HF5SCAS 771-62-0200.13 g/mol

Open in Covalent MOL file
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Aryl halideThiol

Properties

Molecular formula
C6HF5S
Molar mass
200.13 g/mol
Exact mass
199.9719 Da
Melting point
−24 °C
Boiling point
143 °C
logP
2.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
771-62-0
SMILES
Fc1c(F)c(F)c(S)c(F)c1F
InChIKey
UVAMFBJPMUMURT-UHFFFAOYSA-N
InChI
InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Weigh it out

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

Names and synonyms

12 names
  • Benzenethiol, 2,3,4,5,6-pentafluoro-
  • Benzenethiol, pentafluoro-
  • 2,3,4,5,6-Pentafluorobenzenethiol
  • Pentafluorobenzenethiol
  • 2,3,4,5,6-Pentafluorothiophenol
  • Perfluorothiophenol
  • Mercapto(pentafluoro)benzene
  • (Pentafluorophenyl)thiol
  • NSC 88286
  • PFBT
  • Pentafluorophenyl mercaptan
  • P 0861

Work with Pentafluorothiophenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5,6-Tetrafluorothiophenol769-40-453 % similar Hexafluorobenzene392-56-350 % similar Octafluoronaphthalene313-72-440 % similar Decafluorobiphenyl434-90-240 % similar Bromopentafluorobenzene344-04-735 % similar 1,2-Dibromotetrafluorobenzene827-08-735 % similar Pentafluorobenzaldehyde653-37-235 % similar 1,1′-Thiobis[2,3,4,5,6-pentafluorobenzene]1043-50-133 % similar

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

Elsewhere

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