chempirical

1,3-Benzodithiolylium tetrafluoroborate

C7H5BF4S2CAS 57842-27-0240.04 g/mol

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Properties

Molecular formula
C7H5BF4S2
Molar mass
240.04 g/mol
Exact mass
239.9862 Da
logP
4.54Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 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
57842-27-0
SMILES
[B-](F)(F)(F)F.C1=CC=C2C(=C1)SC=[S+]2
InChIKey
CUSWPJQKCZMDPY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5S2.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q+1;-1

Weigh it out

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

Work with 1,3-Benzodithiolylium 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

Tritylium tetrafluoroborate341-02-640 % similar 1,1'-Difluoro-2,2'-bipyridinium Bis(tetrafluoroborate)178439-26-435 % similar Di-tert-butylphenylphosphonium tetrafluoroborate612088-55-833 % similar

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

Elsewhere

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