chempirical

2-(Trifluoromethyl)-9H-thioxanthen-9-one

C14H7F3OSCAS 1693-28-3280.26 g/mol

Open in Covalent MOL file
OSFFF
Alkyl halide

Properties

Molecular formula
C14H7F3OS
Molar mass
280.26 g/mol
Exact mass
280.0170 Da
Melting point
147–148 °C
logP
4.43Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1693-28-3
SMILES
O=c1c2ccccc2sc2ccc(C(F)(F)F)cc12
InChIKey
NEWRXGDGZGIHIS-UHFFFAOYSA-N
InChI
InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H

Weigh it out

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

Names and synonyms

5 names
  • 9H-Thioxanthen-9-one, 2-(trifluoromethyl)-
  • Thioxanthen-9-one, 2-(trifluoromethyl)-
  • 2-Trifluoromethylthioxanthone
  • 2-(Trifluoromethyl)thioxanthen-9-one
  • 2-Trifluoromethyl-9-thioxanthone

Work with 2-(Trifluoromethyl)-9H-thioxanthen-9-one

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

Thioxanthone492-22-859 % similar 2-Chlorothioxanthone86-39-556 % similar 2-Isopropylthioxanthone5495-84-152 % similar Solvent orange 6316294-75-045 % similar Dibenzothiophene132-65-039 % similar Isopropylthioxanthone83846-86-039 % similar 2,4-Diethylthioxanthone82799-44-839 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-138 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook