chempirical

2,3,5,6-Tetrafluorothiophenol

C6H2F4SCAS 769-40-4182.14 g/mol

Open in Covalent MOL file
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Aryl halideThiol

Properties

Molecular formula
C6H2F4S
Molar mass
182.14 g/mol
Exact mass
181.9813 Da
Boiling point
147 °C
logP
2.53Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
769-40-4
SMILES
Fc1cc(F)c(F)c(S)c1F
InChIKey
IGOGJHYWSOZGAE-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

Weigh it out

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

Names and synonyms

5 names
  • Benzenethiol, 2,3,5,6-tetrafluoro-
  • 2,3,5,6-Tetrafluorobenzenethiol
  • NSC 96887
  • 2,3,5,6-Tetrafluorophenylthiol
  • 2,3,5,6-Tetrafluorobenzene-1-thiol

Work with 2,3,5,6-Tetrafluorothiophenol

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

Pentafluorobenzene363-72-458 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar Pentafluorothiophenol771-62-053 % similar 3-Bromo-1,2,4,5-tetrafluorobenzene1559-88-248 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-448 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-448 % similar 2,3,5,6-Tetrafluorophenol769-39-148 % similar 1,2,3,5-Tetrafluorobenzene2367-82-045 % similar

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

Elsewhere

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