chempirical

Phenylsulfur trifluoride

C6H5F3SCAS 672-36-6166.16 g/mol

Open in Covalent MOL file
SFFF

Properties

Molecular formula
C6H5F3S
Molar mass
166.16 g/mol
Exact mass
166.0064 Da
logP
3.50Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
672-36-6
SMILES
C1=CC=C(C=C1)S(F)(F)F
InChIKey
AECHPKVYOLOZLF-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

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Names and synonyms

1 names
  • Trifluoro(phenyl)-lambda4-sulfane

Reactions

Work with Phenylsulfur trifluoride

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

Benzenesulfonyl fluoride368-43-450 % similar Diphenyl sulfone127-63-943 % similar N-Fluorobenzenesulfonimide133745-75-238 % similar Difluoromethyl phenyl sulfone1535-65-538 % similar Fluoromethyl phenyl sulfone20808-12-238 % similar N-(Phenylsulfonyl)benzenesulfonamide2618-96-438 % similar Methyl phenyl sulfone3112-85-438 % similar Bis(phenylsulfonyl)methane3406-02-838 % similar

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

Elsewhere

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