1-(Phenylsulfanyl)-4-(trifluoromethyl)benzene

C₁₃H₉F₃SCAS 53451-90-4254.27 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₁₃H₉F₃S
Molar mass: 254.27 g/mol
Exact mass: 254.0377 Da
logP: 4.86Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

53451-90-4

SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C(F)(F)F

InChIKey

VBQZDUABIJNHRP-UHFFFAOYSA-N

InChI

InChI=1S/C13H9F3S/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H

Weigh it out

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

Names and synonyms

1 names

4-Trifluoromethyl diphenyl sulfide

Work with 1-(Phenylsulfanyl)-4-(trifluoromethyl)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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trifluorotoluene98-08-861 % similar 4-tert-Butyldiphenyl sulfide85609-03-657 % similar Diphenyl sulfide139-66-255 % similar 1,4-Bis(trifluoromethyl)benzene433-19-255 % similar 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile52548-95-553 % similar 4-(Trifluoromethyl)diphenyl ether2367-02-452 % similar 4-(Trifluoromethyl)benzhydrol395-23-347 % similar 4′-Trifluoromethylbenzophenone728-86-947 % similar

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

Elsewhere

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