chempirical

2-Fluorothioanisole

C7H7FSCAS 655-20-9142.19 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
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
655-20-9
SMILES
CSC1=CC=CC=C1F
InChIKey
AYTSELVZWGHUEE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Weigh it out

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

Work with 2-Fluorothioanisole

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-(2-fluorophenyl)disulfide14135-38-761 % similar 2-Bromothioanisole19614-16-550 % similar 2-(Methylthio)phenol1073-29-648 % similar 2-Chlorophenyl methyl sulfide17733-22-148 % similar 2-(Methylthio)aniline2987-53-348 % similar 1-Iodo-2-methylsulfanylbenzene33775-94-948 % similar 1,2-Difluorobenzene367-11-348 % similar 2-Methoxythioanisole2388-73-045 % 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 1-Fluoro-3-(methylthio)benzene658-28-6

Elsewhere

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