2-Fluorothiophenol

C6H5FSCAS 2557-78-0128.16 g/mol

Open in Covalent MOL file
FHS
Aryl halideThiol

Properties

Molecular formula
C6H5FS
Molar mass
128.16 g/mol
Exact mass
128.0096 Da
Boiling point
72–73 °C (at 35 Torr)
logP
2.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 48 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
2557-78-0
SMILES
Fc1ccccc1S
InChIKey
WJTZZPVVTSDNJJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H

Weigh it out

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

Names and synonyms

7 names
  • Benzenethiol, 2-fluoro-
  • Benzenethiol, o-fluoro-
  • 2-Fluorobenzenethiol
  • o-Fluorobenzenethiol
  • (2-Fluorophenyl)thiol
  • o-Fluorothiophenol
  • 2-Fluorobenzene-1-thiol

Work with 2-Fluorothiophenol

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

Benzene-1,2-dithiol17534-15-556 % similar 1,2-Difluorobenzene367-11-356 % similar 2,4-Difluorobenzenethiol1996-44-748 % similar 2,2'-Difluoro-1,1'-biphenyl388-82-948 % similar 1-Bromo-2-fluorobenzene1072-85-143 % similar 2-Bromothiophenol6320-02-143 % similar 2-(Trifluoromethyl)benzenethiol13333-97-642 % similar 2-Mercaptophenol1121-24-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluorothiophenol2557-77-9 4-Fluorobenzenethiol371-42-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook