[(Trifluoromethyl)thio]benzene

C₇H₅F₃SCAS 456-56-4178.17 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₇H₅F₃S
Molar mass: 178.17 g/mol
Exact mass: 178.0064 Da
Boiling point: 140–142 °C
logP: 3.30Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

456-56-4

SMILES

FC(F)(F)Sc1ccccc1

InChIKey

YQQKTCBMKQQOSM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, [(trifluoromethyl)thio]-
Sulfide, phenyl trifluoromethyl
Phenyl trifluoromethyl sulfide
Trifluoromethyl phenyl thioether
Phenyl trifluoromethyl thioether

Work with [(Trifluoromethyl)thio]benzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[(Trifluoromethyl)thio]benzenamine372-16-756 % similar 1-Chloro-4-[(trifluoromethyl)thio]benzene407-16-956 % similar 3-[(Trifluoromethyl)thio]benzenamine369-68-656 % similar 1-Bromo-3-[(trifluoromethyl)thio]benzene2252-45-154 % similar 4-(Trifluoromethylthio)benzylamine128273-56-350 % similar 1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-350 % similar 4-[(Trifluoromethyl)thio]benzenemethanol56456-52-150 % similar 2-[(Trifluoromethyl)thio]benzenamine347-55-746 % similar

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

Same formula

2-(Trifluoromethyl)benzenethiol13333-97-6

Elsewhere

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