3-Fluorothiophenol

C6H5FSCAS 2557-77-9128.16 g/mol

Open in Covalent MOL file
FSH
Aryl halideThiol

Properties

Molecular formula
C6H5FS
Molar mass
128.16 g/mol
Exact mass
128.0096 Da
Boiling point
156 °C
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 47 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
2557-77-9
SMILES
Fc1cccc(S)c1
InChIKey
ZDEUGINAVLMAET-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H

Weigh it out

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

Names and synonyms

6 names
  • Benzenethiol, 3-fluoro-
  • Benzenethiol, m-fluoro-
  • 3-Fluorobenzenethiol
  • m-Fluorobenzenethiol
  • (3-Fluorophenyl)thiol
  • 3-Fluorobenzene-1-thiol

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Benzenedithiol626-04-063 % similar 1,3-Difluorobenzene372-18-958 % similar 3-Chlorothiophenol2037-31-250 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-550 % similar 3-(Trifluoromethyl)benzenethiol937-00-848 % similar 3-Methylbenzenethiol108-40-748 % similar 3-Aminothiophenol22948-02-348 % similar 3-Hydroxybenzenethiol40248-84-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorothiophenol2557-78-0 4-Fluorobenzenethiol371-42-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook