2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol

C7HF7SCAS 651-84-3250.13 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halideThiol

Properties

Molecular formula
C7HF7S
Molar mass
250.13 g/mol
Exact mass
249.9687 Da
logP
3.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
651-84-3
SMILES
C1(=C(C(=C(C(=C1F)F)S)F)F)C(F)(F)F
InChIKey
BXMOMKVOHOSVJH-UHFFFAOYSA-N
InChI
InChI=1S/C7HF7S/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H

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Names and synonyms

1 names
  • 4-Trifluoromethyl-2,3,5,6-tetrafluorothiophenol

Work with 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol

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

Perfluorotoluene434-64-065 % similar Pentafluorothiophenol771-62-055 % similar 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride17823-46-054 % similar 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol2787-79-352 % similar 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-252 % similar [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine1868-85-548 % similar 3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride4284-09-748 % similar 3,5-Dichloro-2,4,6-trifluorobenzotrifluoride4284-10-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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