1-Chloro-4-[(trifluoromethyl)thio]benzene

C₇H₄ClF₃SCAS 407-16-9212.61 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Sulfide

Properties

Molecular formula: C₇H₄ClF₃S
Molar mass: 212.61 g/mol
Exact mass: 211.9674 Da
Boiling point: 173–174 °C
logP: 3.95Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

407-16-9

SMILES

FC(F)(F)Sc1ccc(Cl)cc1

InChIKey

ATFBQTUDGRJCNB-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3S/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-chloro-4-[(trifluoromethyl)thio]-
Sulfide, p-chlorophenyl trifluoromethyl
1-Chloro-4-(trifluoromethylthio)benzene
4-Chlorophenyl trifluoromethyl sulfide
p-Chlorophenyl trifluoromethyl sulfide
4-Chlorophenyl trifluoromethyl thioether
(4-Chlorophenyl)(trifluoromethyl)sulfane
1-Chloro-4-(trifluoromethylsulfanyl)benzene

Work with 1-Chloro-4-[(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

Elsewhere

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