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

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

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

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