3,4-Difluorothiophenol

C₆H₄F₂SCAS 60811-24-7146.15 g/mol

Open in Covalent MOL file

Aryl halide Thiol

Properties

Molecular formula: C₆H₄F₂S
Molar mass: 146.15 g/mol
Exact mass: 146.0002 Da
logP: 2.25Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

60811-24-7

SMILES

C1=CC(=C(C=C1S)F)F

InChIKey

BGVRHDQMTMPAEZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H

Weigh it out

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

Names and synonyms

1 names

3,4-Difluorobenzenethiol

Work with 3,4-Difluorothiophenol

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

3-Chloro-4-fluorobenzenethiol60811-23-660 % similar 1,2,4-Trifluorobenzene367-23-748 % similar 3-Fluorothiophenol2557-77-944 % similar 3,4-Difluorophenol2713-33-944 % similar 3,4-Difluorotoluene2927-34-644 % similar 1-Bromo-3,4-difluorobenzene348-61-844 % similar 3,4-Difluoroaniline3863-11-444 % similar 1,2-Difluoro-4-iodobenzene64248-58-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluorobenzenethiol1996-44-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook