2,3,5,6-Tetrafluorothiophenol
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
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
769-40-4SMILES
Fc1cc(F)c(F)c(S)c1FInChIKey
IGOGJHYWSOZGAE-UHFFFAOYSA-NInChI
InChI=1S/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11HWeigh 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
2,3,5,6-Tetrafluorobenzaldehyde19842-76-348 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.