1,3-Benzodithiolylium tetrafluoroborate

C₇H₅BF₄S₂CAS 57842-27-0240.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BF₄S₂
Molar mass: 240.04 g/mol
Exact mass: 239.9862 Da
logP: 4.54Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Triphenylcarbenium 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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