1-Fluoro-3-(methylthio)benzene

C7H7FSCAS 658-28-6142.19 g/mol

Open in Covalent MOL file
SF
Aryl halideSulfide

Properties

Molecular formula
C7H7FS
Molar mass
142.19 g/mol
Exact mass
142.0252 Da
Boiling point
70–71 °C (at 13 Torr)
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
658-28-6
SMILES
CSc1cccc(F)c1
InChIKey
SQXSNYMCORGWCE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-fluoro-3-(methylthio)-
  • Sulfide, m-fluorophenyl methyl
  • m-Fluorophenyl methyl sulfide
  • 3-Fluorophenyl methyl sulfide
  • 3-Fluorothioanisole
  • 1-Fluoro-3-(methylsulfanyl)benzene
  • 1-Fluoro-3-methylsulfanylbenzene

Work with 1-Fluoro-3-(methylthio)benzene

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

Bis(3-fluorophenyl)disulfide63930-17-663 % similar 1-Chloro-3-(methylthio)benzene4867-37-256 % similar 3-Iodothioanisole130416-73-854 % similar 3-(Methylthio)benzenamine1783-81-954 % similar 3-Bromothioanisole33733-73-254 % similar Thioanisole100-68-550 % similar 3-Methoxythioanisole2388-74-150 % similar 1,3-Difluorobenzene372-18-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Fluorotoluene-alpha-thiol15894-04-9 4-Fluorophenyl methyl sulfide371-15-3 2-Fluorothioanisole655-20-9

Elsewhere

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