2-Fluorothioanisole

C₇H₇FSCAS 655-20-9142.19 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₇H₇FS
Molar mass: 142.19 g/mol
Exact mass: 142.0252 Da
logP: 2.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

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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