4-(Trifluoromethyl)thiophenol

C₇H₅F₃SCAS 825-83-2178.17 g/mol

Open in Covalent MOL file

Alkyl halide Thiol

Properties

Molecular formula: C₇H₅F₃S
Molar mass: 178.17 g/mol
Exact mass: 178.0064 Da
logP: 2.99Crippen 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

825-83-2

SMILES

C1=CC(=CC=C1C(F)(F)F)S

InChIKey

WCMLRSZJUIKVCW-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3S/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

Weigh it out

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

Work with 4-(Trifluoromethyl)thiophenol

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

1,4-Bis(trifluoromethyl)benzene433-19-267 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-757 % similar 4-(Trifluoromethyl)pyridine3796-24-552 % similar 4-Fluorobenzotrifluoride402-44-852 % similar Tris(4-trifluoromethylphenyl)phosphine13406-29-650 % similar 4-tert-Butylthiophenol2396-68-150 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-750 % similar 4-(Trifluoromethyl)phenol402-45-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Trifluoromethyl)benzenethiol13333-97-6 [(Trifluoromethyl)thio]benzene456-56-4

Elsewhere

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