Pentafluorothiophenol
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
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed91.8% of notifiers
- H312 Harmful in contact with skin81.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H331 Toxic if inhaled79.6% of notifiers
- H332 Harmful if inhaled12.2% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
771-62-0SMILES
Fc1c(F)c(F)c(S)c(F)c1FInChIKey
UVAMFBJPMUMURT-UHFFFAOYSA-NInChI
InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12HWeigh 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-Tetrafluoro-4-(trifluoromethyl)benzenethiol651-84-355 % similar
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
Tanimoto similarity of circular fingerprints over the whole catalogue.