S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate

C₁₃H₈BF₇SCAS 131880-16-5340.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₈BF₇S
Molar mass: 340.07 g/mol
Exact mass: 340.0328 Da
logP: 5.52Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

131880-16-5

SMILES

[B-](F)(F)(F)F.C1=CC=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F

InChIKey

VTVISWLINKWMQZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H8F3S.BF4/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)5/h1-8H;/q+1;-1

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Names and synonyms

1 names

5-(Trifluoromethyl)-5H-dibenzo[B,D]thiophen-5-ium tetrafluoroborate

Work with S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate

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

5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate129946-88-954 % similar Tritylium tetrafluoroborate341-02-634 % similar

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

Elsewhere

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